MonarchInit/C3PO huggingface dataset:
Compound: TMC-89A
SMILES: CC(C)CC(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)C(N)=O)[C@@H](C)O)[C@@H](C)O)C(=O)C1(CO)CO1
Compound: TMC-89B
SMILES: CC(C)CC(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](C)C(N)=O)[C@@H](C)O)[C@@H](C)O)C(=O)C1(CO)CO1
Compound: quercetin 3-O-alpha-(6'''-caffeoylglucosyl-beta-1,2-rhamnoside)
SMILES: O([C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)COC(=O)/C=C/C=2C=CC(=C(C2)O)O)[C@H]3[C@@H](O[C@H]([C@@H]([C@H]3O)O)C)OC=4C(C5=C(C=C(C=C5OC4C6=CC(=C(C=C6)O)O)O)O)=O
Compound: quercetin 3-O-alpha-L-[6'''-p-coumaroyl-beta-D-glucopyranosyl-(1->2)-rhamnopyranoside]
SMILES: O([C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)COC(=O)/C=C/C2=CC=C(C=C2)O)[C@H]3[C@@H](O[C@H]([C@@H]([C@H]3O)O)C)OC=4C(C5=C(C=C(C=C5OC4C6=CC(=C(C=C6)O)O)O)O)=O
Compound: quercetin 3-O-alpha-L-[6'''-p-coumaroyl-beta-D-glucopyranosyl-(1->2)-rhamnopyranoside]-7-O-beta-D-glucopyranoside
SMILES: [H][C@]1(O[C@H](COC(=O)\C=C\c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@@H](O[C@@H](C)[C@H](O)[C@H]1O)Oc1c(oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O)-c1ccc(O)c(O)c1
Compound: quercetin 3-O-(2'',3''-digalloyl)-beta-D-galactopyranoside
SMILES: OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O
Compound: quercetin 3-O-beta-D-glucopyranosyl-(1->2)-rhamnopyranoside
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@@H](O[C@@H](C)[C@H](O)[C@H]1O)Oc1c(oc2cc(O)cc(O)c2c1=O)-c1ccc(O)c(O)c1
Compound: quercetin 4'-O-alpha-L-rhamnopyranosyl-3-O-beta-D-allopyranoside
SMILES: C[C@@H]1O[C@@H](Oc2ccc(cc2O)-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
Compound: Maculine
SMILES: COc1c2ccoc2nc2cc3OCOc3cc12
Compound: quillaic acid alpha-L-Arap-(1->4)-alpha-L-Arap-(1->3)-beta-D-Xylp-(1->4)-alpha-L-Rhap-(1->2)-beta-D-fucopyranosyl ester
SMILES: [H][C@]1(OC[C@H](O)[C@H](O)[C@H]1O)O[C@H]1CO[C@@]([H])(O[C@H]2[C@H](O)CO[C@@]([H])(O[C@H]3[C@H](C)O[C@@]([H])(O[C@@H]4[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]4OC(=O)[C@]45CCC(C)(C)C[C@@]4([H])C4=CC[C@]6([H])[C@@]7(C)CC[C@H](O)[C@@](C)(C=O)[C@]7([H])CC[C@@]6(C)[C@]4(C)C[C@H]5O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@H]1O
Compound: (3Z)-ravenic acid
SMILES: C\C=C\C=C\C=C(C)\C=C\C(O)=C1/C(=O)CNC1=O
Compound: rediocide A
SMILES: [H][C@@]12CC[C@H](C[C@@](C)(O)[C@]3(O)[C@H]4O[C@]5(O[C@@H]3[C@]3([H])[C@@H]6O[C@]6(CO)[C@@H](O)[C@]6(O)[C@@H](OC(=O)\C=C\C=C/[C@H]1OC(=O)CC(C)C)[C@@H](C)C[C@@]6([H])[C@@]3(O5)[C@@H]4C)c1ccccc1)[C@@H]2C
Compound: rediocide C
SMILES: [H][C@@]12CC[C@H](C[C@@](C)(O)[C@]3(O)[C@H]4O[C@]5(O[C@@H]3[C@]3([H])[C@@H]6O[C@]6(CO)[C@@H](O)[C@]6(O)[C@@H](OC(=O)\C=C\C=C/[C@H]1OC(=O)c1ccccc1)[C@@H](C)C[C@@]6([H])[C@@]3(O5)[C@@H]4C)c1ccccc1)[C@@H]2C
Compound: rediocide E
SMILES: [H][C@@]12CC[C@H](C[C@@](C)(O)[C@]3(O)[C@H]4O[C@]5(O[C@@H]3[C@]3([H])[C@@H]6O[C@]6(CO)[C@@H](O)[C@]6(O)[C@H](CC[C@@]6([H])[C@@]3(O5)[C@@H]4C)OC(=O)\C=C\C=C/[C@H]1OC(=O)CC(C)C)c1ccccc1)[C@@H]2C
Compound: rediocide F
SMILES: [H][C@@]12CC[C@H](C[C@@](C)(O)[C@]3(O)[C@H]4O[C@]5(O[C@@H]3[C@]3([H])[C@@H]6O[C@]6(CO)[C@@H](O)[C@]6(O)[C@H](CC[C@@]6([H])[C@@]3(O5)[C@@H]4C)OC(=O)\C=C\C=C/[C@H]1OC(=O)c1ccccc1)c1ccccc1)[C@@H]2C
Compound: rediocide G
SMILES: [H][C@@]12C[C@H](C)[C@@H]3OC(=O)\C=C\C=C/[C@H](OC(=O)c4ccccc4)C4CCC(CC4)C[C@@](C)(O)[C@]4(O)[C@H]5O[C@]6(O[C@@H]4[C@]([H])([C@@H]4O[C@]4(CO)[C@@H](O)[C@@]13O)[C@]2(O6)[C@@H]5C)c1ccccc1
Compound: remangiflavanone A
SMILES: C1(C2=C(O[C@@H](C1)C3=CC=C(C=C3)O)C(=C(C=C2O)O)C[C@@H](CCC(=C)C)C(=C)C)=O
Compound: remangiflavanone B
SMILES: C1(C2=C(O[C@@H](C1)C3=C(C=C(C=C3)O)O)C(=C(C=C2O)O)C[C@@H](CCC(=C)C)C(=C)C)=O
Compound: respirantin
SMILES: [H][C@]1(OC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)C(=O)[C@H](CC(C)C)NC1=O)C(C)CC
Compound: 2-methylhexano-6-lactone
SMILES: CC1CCCCOC1=O
Compound: Maculosidine
SMILES: COc1cc(OC)c2nc3occc3c(OC)c2c1
Compound: cyclodepsipeptide 2
SMILES: [H][C@]1(OC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC(=O)[C@@H](OC(=O)C(C)(C)C(=O)[C@H](CC(C)C)NC1=O)C(C)C)[C@@H](C)CC
Compound: pyranojacareubin
SMILES: CC1(C)Oc2cc3oc4c(O)c5OC(C)(C)C=Cc5cc4c(=O)c3c(O)c2C=C1
Compound: rhinacanthin C
SMILES: C\C=C(/C)CC\C=C(/C)C(=O)OCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O
Compound: rhinacanthin D
SMILES: CC(C)(COC(=O)c1ccc2OCOc2c1)CC1=C(O)C(=O)c2ccccc2C1=O
Compound: rhodiocyanoside A
SMILES: C\C(=C\CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C#N
Compound: rhuscholide A
SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(O)cc2c1OC(=O)C2=C(C)C
Compound: robustaflavone 7,4',7''-trimethyl ether
SMILES: COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(OC)c(c1)-c1c(OC)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1
Compound: rocaglamide
SMILES: COc1ccc(cc1)[C@@]12Oc3cc(OC)cc(OC)c3[C@]1(O)[C@H](O)[C@@H]([C@H]2c1ccccc1)C(=O)N(C)C
Compound: maculosin
SMILES: [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC2=O
Compound: rostratin A
SMILES: [H][C@]12C[C@@]34SS[C@]5(C[C@]6([H])[C@@H](O)CC[C@H](O)[C@@]6([H])N5C3=O)C(=O)N4[C@]1([H])[C@@H](O)CC[C@@H]2O
Compound: rostratin B
SMILES: [H][C@]12C[C@@]34SS[C@]5(C[C@]6([H])C(=O)CC[C@H](O)[C@]6([H])N5C3=O)C(=O)N4[C@@]1([H])[C@@H](O)CCC2=O
Compound: rostratin C
SMILES: [H][C@]12C[C@@]34SS[C@]5(C[C@]6([H])C(=O)C[C@H](OC)[C@H](O)[C@]6([H])N5C3=O)C(=O)N4[C@@]1([H])[C@@H](O)[C@H](CC2=O)OC
Compound: rostratin D
SMILES: [H][C@]12C[C@@]34SS[C@]5(C[C@]6([H])C(=O)C[C@@H](S)[C@H](O)[C@]6([H])N5C3=O)C(=O)N4[C@@]1([H])[C@@H](O)[C@H](S)CC2=O
Compound: rotundifolioside A
SMILES: [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1([H])O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1([H])O[C@H]1CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])C=C[C@]24OC[C@@]5(CC[C@@H](C)[C@H](C)[C@@]25[H])[C@H](O)C[C@@]34C)C1(C)C
Compound: rotundifolioside H
SMILES: [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1([H])O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](C)O[C@@]1([H])O[C@H]1CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])C=C[C@]24OC[C@@]5(CC[C@@H](C)[C@H](C)[C@@]25[H])[C@H](O)C[C@@]34C)[C@]1(C)CO
Compound: rotundifolioside I
SMILES: [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1([H])O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](C)O[C@@]1([H])O[C@H]1CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])C=C[C@]24OC[C@@]5(CC[C@@H](C)[C@H](C)[C@@]25[H])[C@H](O)C[C@@]34C)C1(C)C
Compound: rotundifolioside J
SMILES: [H][C@]1(O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1([H])O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](C)O[C@@]1([H])O[C@H]1CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])C=C[C@]24OC[C@@]5(CC[C@@H](C)[C@H](C)[C@@]25[H])[C@H](O)C[C@@]34C)C1(C)C
Compound: rubraxanthone
SMILES: COc1c(O)cc2oc3cc(O)cc(O)c3c(=O)c2c1C\C=C(/C)CCC=C(C)C
Compound: rubriflordilactone B
SMILES: [H][C@@]12Cc3c4C=C[C@@]5([H])C(C)(C)O[C@]6([H])CC(=O)O[C@]56Cc4ccc3[C@]1([H])[C@H](C)[C@]([H])(O2)[C@@]1([H])OC(=O)C(C)=C1
Compound: Maculosine
SMILES: CC(C)(O)C(O)COc1c2ccoc2nc2cc3OCOc3cc12
Compound: Rubrisandrin A(2:1 Inseparable mixture of regeoisomers)
SMILES: COc1cc2CC(C)C(C)Cc3cc(O)c(OC)c(OC)c3-c2c(O)c1OC
Compound: weigelic acid
SMILES: [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)[C@H](O)[C@@H](O)[C@@H](O)[C@@]2(C)CO
Compound: WF14865A
SMILES: CCC(C)[C@H](NC(=O)[C@H]1O[C@@H]1C(O)=O)C(=O)NCCCc1c[nH]c(N)n1
Compound: WF14865B
SMILES: CC(C)C[C@H](NC(=O)[C@H]1O[C@@H]1C(O)=O)C(=O)NCCCc1c[nH]c(N)n1
Compound: tubocapsanolide A
SMILES: [H][C@@]1(CC(C)=C(C)C(=O)O1)[C@@H](C)[C@@]12O[C@]1([H])C[C@@]1([H])[C@]3([H])C[C@@]4([H])O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)[C@@]3([H])CC[C@]21C
Compound: 20-hydroxytubocapsanolide A
SMILES: CC1=C(C)C(=O)O[C@H](C1)[C@](C)(O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]21C
Compound: 23-hydroxytubocapsanolide A
SMILES: C[C@H]([C@@H]1OC(=O)C(C)=C(C)[C@@H]1O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]21C
Compound: tubocapsanolide F
SMILES: [H][C@@]1(CC(C)=C(C)C(=O)O1)[C@@H](C)[C@@]1(O)CC[C@@]2([H])[C@]3([H])C[C@@]4([H])O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)[C@@]3([H])CC[C@]12C
Compound: 17alpha-hydroxywithanolide D
SMILES: CC1=C(C)C(=O)O[C@H](C1)[C@](C)(O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C
Compound: Mafenide
SMILES: NCc1ccc(cc1)S(N)(=O)=O
Compound: wrightiamine A
SMILES: [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]45C=N[C@@H](C)[C@@]4([H])CC[C@@]35[H])[C@@]1(C)CC[C@H](N)C2
Compound: xanthohumol
SMILES: COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)\C=C\c1ccc(O)cc1
Compound: dihydroxanthohumol
SMILES: COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)CCc1ccc(O)cc1
Compound: oxygenated xanthohumol
SMILES: COc1cc(O)c(CC(O)C(C)(C)OC)c(O)c1C(=O)\C=C\c1ccc(O)cc1
Compound: xanthohumol B
SMILES: COc1cc2OC(C)(C)C(O)Cc2c(O)c1C(=O)\C=C\c1ccc(O)cc1
Compound: xanthohumol D
SMILES: COc1cc(O)c(CC(O)C(C)=C)c(O)c1C(=O)\C=C\c1ccc(O)cc1
Compound: xenovulene A
SMILES: [H][C@@]12CO[C@@]3([H])[C@]4([H])CC\C(C)=C\CC(C)(C)\C=C\C[C@@]4(C)OC(=C(O)C1=O)[C@@]23[H]
Compound: xylocarpin J
SMILES: [H][C@]12CC[C@@]3(C)[C@@H](OC(=O)C[C@@]3([H])[C@@]11CC3[C@H](OC(=O)C(\C)=C\C)C(C)(C)[C@H](CC(=O)OC)[C@]2(C)[C@@]3(O)O1)c1ccoc1
Compound: UCS1025 A
SMILES: [H][C@]12CCN3C(=O)[C@@]([H])(C(=O)[C@H]4[C@@H](C)C=C[C@@]5(C)CCCC[C@]45C)[C@]([H])(OC1=O)[C@]23O
Compound: UK-2A
SMILES: COc1ccnc(C(=O)N[C@H]2COC(=O)C(Cc3ccccc3)[C@@H](OC(=O)C(C)C)C(C)OC2=O)c1O
Compound: Magellanine
SMILES: CN1CC[C@H]2[C@H](C[C@]34[C@H](C[C@H](O)[C@H]23)CC(C)=CC4=O)C1
Compound: UK-2B
SMILES: COc1ccnc(C(=O)NC2COC(=O)C(Cc3ccccc3)C(OC(=O)C(\C)=C\C)C(C)OC2=O)c1O
Compound: UK-3A
SMILES: CC(C)C(=O)O[C@H]1[C@H](C)OC(=O)[C@H](COC(=O)[C@@H]1Cc1ccccc1)NC(=O)c1ncccc1O
Compound: (22S,24R)-3alpha-ureido-ergosta-4,6,8(14),22-tetraene
SMILES: CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CCC2=C3C=CC4=C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)NC(N)=O
Compound: Urceolatin
SMILES: Oc1cc(Cc2c(O)c(O)c3oc4c(O)c(Br)cc5ccc2c3c45)cc(Br)c1O
Compound: vaccihein A
SMILES: COC(=O)Cc1c(O)cc(O)cc1OC(=O)c1cc(OC)c(O)c(OC)c1
Compound: 3-O-vanillyceanothic acid
SMILES: COc1cc(ccc1O)C(=O)O[C@H]1[C@H](C(O)=O)[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@@H](CC[C@@]4(CC[C@@]32C)C(O)=O)C(C)=C)C1(C)C
Compound: variecolin
SMILES: [H]C(=O)C1=C/C[C@@]2([H])[C@]3([H])[C@H](CC[C@@]3(C)CC[C@]2(C)C[C@@]2([H])[C@@H](C)CC(=O)[C@@]\12[H])C(C)=C
Compound: variecolorquinone A
SMILES: COc1cc(O)cc2C(=O)c3cc(C)c(C(=O)OC[C@@H](O)CO)c(O)c3C(=O)c12
Compound: variecolorquinone B
SMILES: C=1(C(=C(CC=2C(C(=CC(C2)=O)OC)=O)C=C(C)C1)C(OC)=O)O
Compound: vedelianin
SMILES: [H][C@]12Cc3cc(\C=C\c4cc(O)c(CC=C(C)C)c(O)c4)cc(O)c3O[C@]1(C)C[C@@H](O)[C@@H](O)C2(C)C
Compound: venturamide A
SMILES: CC(C)[C@H]1NC(=O)c2csc(n2)[C@@H](C)NC(=O)c2nc(oc2C)[C@@H](C)NC(=O)c2csc1n2
Compound: venturamide B
SMILES: CC(C)[C@H]1NC(=O)c2csc(n2)[C@H](NC(=O)c2nc(oc2C)[C@@H](C)NC(=O)c2csc1n2)[C@@H](C)O
Compound: verongamine
SMILES: COc1ccc(C\C(=N/O)C(=O)NCCc2c[nH]cn2)cc1Br
Compound: Verrucoside
SMILES: [H][C@]1(O[C@@H](C)[C@@H](O)[C@@H](OC)[C@@H]1OC(C)=O)O[C@H]1[C@@H](O)CC[C@@]2(C)[C@]1([H])CC[C@@]1([H])[C@]3([H])CC[C@H](C=C)[C@@]3(C)CC[C@]21[H]
Compound: Verticillin G
SMILES: [H][C@]12Nc3ccccc3[C@@]1([C@@H](O)[C@@]1(SS)N2C(=O)CN(C)C1=O)[C@]12[C@H](O)[C@]34SS[C@](N(C)C3=O)(C(C)=O)C(=O)N4[C@@]1([H])Nc1ccccc21
Compound: Vilmorrianone
SMILES: [H][C@]12C[C@]3([H])[C@@]4(CC1=C)C(=O)C(=O)[C@]1([H])[C@@]5(C)C[C@@H](C[C@@]31[C@]([H])(N(C)C5)[C@@]4([H])C2=O)OC(C)=O
Compound: (+)-alpha-viniferin
SMILES: [H][C@@]12[C@H](Oc3cc(O)cc(c13)[C@@]1([H])[C@@H](Oc3cc(O)cc(c13)[C@@]1([H])[C@@H](Oc3cc(O)cc2c13)c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(O)cc1
Compound: magnesium dichloride
SMILES: [Mg++].[Cl-].[Cl-]
Compound: vinylamycin
SMILES: CCCCCCC(C)C1OC(=O)[C@H](NC(=O)[C@H](C)NC(=O)\C=C\C(=C)NC(=O)C1CCO)C(C)C
Compound: Viridamide A
SMILES: CC[C@H](C)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)CCCC(CCCC#C)OC)C(C)C)C(C)C)C(=O)N1CCC[C@H]1C(=O)OC
Compound: Vitex norditerpenoid 1
SMILES: [H][C@@]12CC[C@@H](C)[C@]3(CC\C(O3)=C/C=O)[C@@]1(C)CCCC2(C)C
Compound: Vitex norditerpenoid 2
SMILES: [H][C@@]12[C@@H](C[C@@H](C)[C@]3(CC\C(O3)=C/C=O)[C@@]1(C)CCCC2(C)C)OC(C)=O
Compound: 12-methyl-5-dehydrohorminone
SMILES: COC1=C(C(C)C)C(=O)C2=C(C1=O)[C@@]1(C)CCCC(C)(C)C1=C[C@H]2O
Compound: 12-methyl-5-dehydroacetylhorminone
SMILES: COC1=C(C(C)C)C(=O)C2=C(C1=O)[C@@]1(C)CCCC(C)(C)C1=C[C@H]2OC(C)=O
Compound: 6-O-methyl-2-deprenylrheediaxanthone B
SMILES: COc1ccc2c(oc3c4c(OC(C)C4(C)C)cc(O)c3c2=O)c1O
Compound: vieillardixanthone
SMILES: COc1cc(O)c2c(oc3c(O)c(O)ccc3c2=O)c1C(=C)C(C)C
Compound: 4-methylaeruginoic acid
SMILES: C[C@@]1(CSC(=N1)c1ccccc1O)C(O)=O
Compound: 3-O-methylcalopocarpin
SMILES: [H][C@@]12COc3cc(OC)c(CC=C(C)C)cc3[C@]1([H])Oc1cc(O)ccc21
Compound: magnesium dihydroxide
SMILES: [OH-].[OH-].[Mg++]
Compound: 5-hydroxy-6-methoxy-2-methylchromone-7-O-rutinoside
SMILES: COc1c(O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(C)cc(=O)c2c1O
Compound: 5-hydroxy-2-methylchromone-7-O-rutinoside
SMILES: C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(c3)oc(C)cc4=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Compound: N-Methylnarceimicine
SMILES: C[N+](C)(C)CCc1cc2OCOc2cc1C(=O)C(=O)c1ccc2OCOc2c1C(O)=O
Compound: 2-(methyldithio)pyridine-N-oxide
SMILES: CSSc1cccc[n+]1[O-]
Compound: michaolide A
SMILES: [H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C\C(C)=C\C[C@H](O)\C(C)=C\C[C@@H](OC(C)=O)[C@]1(C)O[C@@]21[H])OC(C)=O
Compound: michaolide B
SMILES: [H][C@]12OC(=O)C(=C)[C@]1([H])[C@H](O)C\C(C)=C\C[C@H](OC(C)=O)\C(C)=C\C[C@@H](OC(C)=O)[C@]1(C)O[C@@]21[H]
Compound: michaolide C
SMILES: [H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C\C(C)=C\C[C@H](OC(C)=O)\C(C)=C\C[C@@H](O)[C@]1(C)O[C@@]21[H])OC(C)=O
Compound: michaolide D
SMILES: [H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C\C(C)=C\CC(=O)\C(C)=C\C[C@@H](OC(C)=O)[C@]1(C)O[C@@]21[H])OC(C)=O
Compound: michaolide E
SMILES: [H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C\C(C)=C\CC\C(C)=C\C[C@@H](OC(C)=O)[C@]1(C)O[C@@]21[H])OC(C)=O
Compound: michaolide F
SMILES: [H][C@]12OC(=O)C(=C)[C@]1([H])[C@H](O)C\C(C)=C\CC\C(C)=C\C[C@@H](OC(C)=O)[C@]1(C)O[C@@]21[H]
Compound: michaolide G
SMILES: [H][C@]12C[C@H](OC(C)=O)\C(C)=C\C[C@@H](OC(C)=O)[C@]3(C)O[C@@]3([H])[C@@]3([H])OC(=O)C(=C)[C@]3([H])[C@@H](C[C@]1(C)O2)OC(C)=O
Compound: michaolide H
SMILES: [H][C@@]12[C@@H](C\C(C)=C\C[C@H](OC(C)=O)\C(C)=C\C[C@@H](OC(C)=O)[C@]3(C)O[C@@]3([H])[C@@]1([H])OC(=O)[C@H]2COC)OC(C)=O
Compound: michaolide I
SMILES: [H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C\C(C)=C\C[C@H](OC(C)=O)\C(C)=C\C[C@@H](OC(C)=O)[C@](C)(O)[C@H]2O)OC(C)=O
Compound: michaolide J
SMILES: [H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C\C(C)=C\C[C@H](OC(C)=O)\C(C)=C\C[C@@H](OC(C)=O)[C@](C)(O)[C@H]2OC(C)=O)OC(C)=O
Compound: michaolide K
SMILES: [H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C\C(C)=C\CC\C(C)=C\C[C@@H](OC(C)=O)[C@](C)(O)[C@H]2O)OC(C)=O
Compound: michellamine B
SMILES: COc1cc(C)cc2c(cc(c(O)c12)-c1cc(-c2c(O)cc(O)c3[C@H](C)N[C@@H](C)Cc23)c2cc(C)cc(OC)c2c1O)-c1c(O)cc(O)c2[C@H](C)N[C@@H](C)Cc12
Compound: microclavatin
SMILES: [H][C@@]12O[C@]1(C)\C=C\C(=O)\C(C)=C\[C@]1([H])[C@]([H])(CC[C@H](C)CC2=O)C1(C)C
Compound: microspinosamide
SMILES: CCC(C)(C)[C@H](NC(=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)C(NC(=O)[C@@H](C)NC=O)C(O)c1ccc(Br)cc1)C(C)(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CS(O)(=O)=O)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@H](CCC(N)=O)N(C)C1=O)C(C)C
Compound: migrastatin
SMILES: [H][C@@]1(OC(=O)\C=C\CC\C=C\[C@H](OC)[C@@H](O)[C@H](C)\C=C1\C)[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1
Compound: millewanin G
SMILES: CC(C)=CCc1c(O)c(CC(O)C(C)=C)c(O)c2c1occ(-c1ccc(O)c(O)c1)c2=O
Compound: millewanin H
SMILES: CC(C)=CCc1c(O)c(CC(O)C(C)=C)c2occ(-c3ccc(O)c(O)c3)c(=O)c2c1O
Compound: mimosifolenone
SMILES: CO[C@@H]1CC(=O)C=CC[C@@]1(O)\C=C/c1ccccc1
Compound: minheryin G
SMILES: [H][C@@]12CC[C@@]3([H])[C@]4(C)[C@@H](O)C[C@H](O)C(C)(C)[C@@]4([H])C[C@@H](O)[C@]3([C@@H]1O)C(=O)C2=C
Compound: miquelianin
SMILES: O[C@H]1[C@@H](O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O)Oc1c(oc2cc(O)cc(O)c2c1=O)-c1ccc(O)c(O)c1
Compound: monodictyochromone A
SMILES: [H][C@]1(OC(=O)C[C@@H]1C)[C@@]1(C)CC(=O)c2c(O1)ccc(c2O)-c1c(C)cc(O)c2C(=O)C[C@](C)(Oc12)[C@]1([H])OC(=O)C[C@H]1O
Compound: monodictyochromone B
SMILES: [H][C@]1(OC(=O)C[C@@H]1C)[C@@]1(C)CC(=O)c2c(O1)ccc(c2O)-c1c(C)cc2O[C@@](C)(CC(=O)c2c1O)[C@]1([H])OC(=O)C[C@H]1O
Compound: monodictysin B
SMILES: [H][C@]12[C@@H](O)C[C@H](C)[C@H](O)[C@@]1(C)Oc1cccc(O)c1C2=O
Compound: monodictysin C
SMILES: [H][C@]12[C@@H](O)C[C@H](C)[C@H](O)[C@@]1(C)Oc1cc(OC)cc(O)c1C2=O
Compound: Magnesium salicylate
SMILES: Oc1ccccc1C(=O)O[Mg]OC(=O)c1ccccc1O
Compound: monotesone A
SMILES: CC(C)=CCOc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Compound: morellic acid
SMILES: [H][C@@]12C[C@@]3(C\C=C(\C)C(O)=O)C(C)(C)O[C@@]([H])(C1=O)[C@]31Oc3c(CC=C(C)C)c4OC(C)(C)C=Cc4c(O)c3C(=O)C1=C2
Compound: 8,8a-epoxymorellic acid
SMILES: [H][C@@]12C[C@@]3(C\C=C(\C)C(O)=O)C(C)(C)O[C@@]([H])(C1=O)[C@]31Oc3c(CC=C(C)C)c4OC(C)(C)C=Cc4c(O)c3C(=O)C11OC21
Compound: moromycin A
SMILES: [H][C@]1(O[C@@H](C)C(=O)C=C1)O[C@H]1CC[C@@H](O[C@H]1C)O[C@@]1(C)CC(=O)c2c(C1)ccc1C(=O)c3c(O)c(ccc3C(=O)c21)[C@H]1C[C@@]2([H])O[C@@]3([H])CC(=O)[C@H](C)O[C@@]3([H])O[C@]2([H])[C@@H](C)O1
Compound: moromycin B
SMILES: [H][C@@]12C[C@@H](O[C@H](C)[C@@]1([H])O[C@]1([H])O[C@@H](C)C(=O)C[C@]1([H])O2)c1ccc2C(=O)c3c(ccc4C[C@@](C)(O)CC(=O)c34)C(=O)c2c1O
Compound: motualevic acid A
SMILES: OC(=O)CNC(=O)\C=C\CCCCCCCCCC=C(Br)Br
Compound: motualevic acid F
SMILES: OC(=O)[C@@H]1N=C1\C=C\CCCCCCCCCC=C(Br)Br
Compound: multicaulin
SMILES: COc1cc2c(ccc3c(C)c(C)ccc23)cc1C(C)C
Compound: 12-demethylmulticaulin
SMILES: CC(C)c1cc2ccc3c(C)c(C)ccc3c2cc1O
Compound: multiorthoquinone
SMILES: COc1cc2c3C(=O)C(=O)C(=Cc3ccc2c(C)c1C)C(C)C
Compound: (S)-magnoflorine
SMILES: C12=C3C4=C(C=CC(=C4O)OC)C[C@@]1([N+](CCC2=CC(=C3O)OC)(C)C)[H]
Compound: 12-demethylmultiorthoquinone
SMILES: CC(C)C1=Cc2ccc3c(C)c(C)c(O)cc3c2C(=O)C1=O
Compound: multiplolide A
SMILES: [H][C@@]12O[C@]1([H])C(=O)O[C@H](C)C[C@@H](O)[C@@H](O)\C=C\2
Compound: multiplolide B
SMILES: C\C=C\C(=O)O[C@@H]1C[C@@H](C)OC(=O)C2OC2\C=C\[C@@H]1O
Compound: (2S),(2''S)-8,8''-5'-trihydroxy-7,7''-3,3''-4,4''-5''-heptamethoxy-5,5''-biflavan
SMILES: COc1cc(c2CC[C@H](Oc2c1O)c1cc(O)c(OC)c(OC)c1)-c1cc(OC)c(O)c2O[C@@H](CCc12)c1cc(OC)c(OC)c(OC)c1
Compound: (2S),(2''S)-8,8''-5',5''-tetrahydroxy-7,7''-3,3''-4,4''-hexamethoxy-5,5''-biflavan
SMILES: COc1cc(c2CC[C@H](Oc2c1O)c1cc(O)c(OC)c(OC)c1)-c1cc(OC)c(O)c2O[C@@H](CCc12)c1cc(O)c(OC)c(OC)c1
Compound: muqubilone
SMILES: [H][C@]1(CC[C@](C)(CC\C=C(/C)CCC(=O)C(C)(C)CCCC(C)=O)OO1)[C@@H](C)C(O)=O
Compound: mustakone
SMILES: CC(C)[C@@H]1CCC2(C)C3C1C2C(C)=CC3=O
Compound: myrciacitrin I
SMILES: Cc1c(O)c2C(=O)C[C@H](Oc2c(C)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cc(O)ccc1O
Compound: myrciacitrin II
SMILES: COc1ccc(O)c(c1)[C@@H]1CC(=O)c2c(O)c(C)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(C)c2O1
Compound: myrciacitrin III
SMILES: Cc1c(O)c(C)c2O[C@@H](CC(=O)c2c1O)c1cc(O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: Magnoline
SMILES: COc1cc2CCN(C)C(Cc3ccc(Oc4cc(CC5N(C)CCc6cc(OC)c(O)cc56)ccc4O)cc3)c2cc1O
Compound: myrciacitrin IV
SMILES: Cc1c(O)c2C(=O)C[C@H](Oc2c(C)c1O[C@@H]1O[C@H](COC(=O)\C=C\c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O)c1cc(O)ccc1O
Compound: myrciacitrin V
SMILES: Cc1c(O)c2C(=O)C[C@H](Oc2c(C)c1O[C@@H]1O[C@H](COC(=O)c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O)c1cc(O)ccc1O
Compound: myriaporone 3
SMILES: [H][C@]1(COC(O)(CC)C[C@@H]1O)C(=O)[C@H](CO)[C@H](O)[C@@]1(C)O[C@]1([H])[C@@H](C)\C=C/C
Compound: myricitrin-5-methyl ether
SMILES: COc1cc(O)cc2oc(-c3cc(O)c(O)c(O)c3)c(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)c(=O)c12
Compound: myrothenone A
SMILES: O[C@]1(CC(NC=O)=CC1=O)C=C
Compound: (3beta,16alpha)-16-hydroxy-13,28-epoxyoleanan-3-yl alpha-L-Rhap-(1->2)-beta-D-Glcp-(1->4)-[beta-D-Glcp-(1->2)]-alpha-L-arabinopyranoside
SMILES: [H][C@@]1(CO[C@@]([H])(O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC[C@]35OC[C@@]6(CCC(C)(C)C[C@@]36[H])[C@H](O)C[C@@]45C)C2(C)C)[C@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@]1([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
Compound: myrsinoic acid A
SMILES: CC(C)=CCC\C(C)=C\Cc1cc(cc(CC=C(C)C)c1O)C(O)=O
Compound: myrsinoic acid B
SMILES: CC(C)=CCCC(C)(O)C1Cc2cc(cc(CC=C(C)C)c2O1)C(O)=O
Compound: myrsinoic acid C
SMILES: CC(C)=CCC[C@]1(C)Oc2c(CC=C(C)C)cc(cc2C[C@@H]1O)C(O)=O
Compound: myrsinoic acid F
SMILES: CC(C)=CC\C=C(/C)C1Cc2cc(cc(CC=C(C)C)c2O1)C(O)=O
Compound: Magnolol
SMILES: Oc1ccc(CC=C)cc1-c1cc(CC=C)ccc1O
Compound: schiprolactone A
SMILES: [H][C@]1(OC(=O)C2CC1C2)[C@@](C)(OC(C)=O)[C@@]1([H])CC[C@@]2(C)C3=C(CC[C@]12C)C=C1C=CC(=O)OC(C)(C)[C@]1([H])CC3
Compound: schisanlactone A
SMILES: [H][C@@]1(CC=C(C)C(=O)O1)[C@@H](C)[C@@]1([H])CC[C@@]2(C)C3=C(CC[C@]12C)C=C1C=CC(=O)OC(C)(C)[C@]1([H])CC3
Compound: schisanwilsonene A
SMILES: [H][C@]12CC=C(CO)CC[C@]1(C)CC[C@H]2C(C)(C)O
Compound: schizolaenone A
SMILES: CC(C)=CCC\C(C)=C\Cc1cc(ccc1O)[C@@H]1CC(=O)c2c(O1)cc(O)c(CC=C(C)C)c2O
Compound: schizolaenone B
SMILES: CC(C)=CCC\C(C)=C\Cc1cc(cc(O)c1O)[C@@H]1CC(=O)c2c(O1)cc(O)c(CC=C(C)C)c2O
Compound: schweinfurthin E
SMILES: [H][C@]12Cc3cc(\C=C\c4cc(O)c(CC=C(C)C)c(O)c4)cc(OC)c3O[C@]1(C)C[C@@H](O)[C@@H](O)C2(C)C
Compound: schweinfurthin F
SMILES: [H][C@]12Cc3cc(\C=C\c4cc(O)c(CC=C(C)C)c(O)c4)cc(OC)c3O[C@]1(C)CC[C@@H](O)C2(C)C
Compound: schweinfurthin G
SMILES: [H][C@]12Cc3cc(cc(O)c3O[C@]1(C)CC[C@@H](O)C2(C)C)\C=C\c1cc(O)c(CC=C(C)C)c(O)c1
Compound: schweinfurthin H
SMILES: [H][C@]12Cc3cc(\C=C\c4cc(O)c5CC(O)C(C)(C)Oc5c4)cc(OC)c3O[C@]1(C)C[C@@H](O)[C@@H](O)C2(C)C
Compound: sciscllascilloside E-1
SMILES: [H][C@]1(O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)O[C@H]1[C@@]([H])(O[C@H](CO)[C@@H](O)[C@]1([H])O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@@H](O)CO[C@H]1OC[C@H]1O[C@@]([H])(O[C@H]2CC[C@]3(C)C4=C(CC[C@@]3([H])[C@@]2(C)CO)[C@]2(C)CC[C@@]3(O[C@@H](C[C@H]3C)C(=O)CC)[C@@]2(C)CC4)[C@H](O)[C@@H](O)[C@@H]1O
Compound: Magnosalicin
SMILES: COc1cc(OC)c(cc1OC)[C@H]1O[C@@H](C)[C@H]([C@@H]1C)c1cc(OC)c(OC)cc1OC
Compound: scleropyric acid
SMILES: OC(=O)CCCCCCCCCCC#CCCC=C
Compound: scoparic acid A
SMILES: C\C(CC[C@@H]1C(=C)C[C@@H](OC(=O)c2ccccc2)[C@@H]2[C@]1(C)CCC[C@@]2(C)C(O)=O)=C/CO
Compound: scroside D
SMILES: [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](OCCc2ccc(O)c(O)c2)[C@@H]1O
Compound: scutebarbatine C
SMILES: [H][C@]12CC=C[C@](C)(O)[C@]1(C)[C@@H](OC(=O)c1cccnc1)[C@H](OC(=O)c1ccccc1)[C@](C)(O)[C@]2(C)\C=C\C1=CC(=O)OC1
Compound: scutebarbatine D
SMILES: [H][C@]12CC[C@H](O)C(=C)[C@]1(C)[C@@H](OC(=O)c1cccnc1)[C@H](OC(=O)c1ccccc1)[C@](C)(O)[C@]2(C)\C=C\C1=CC(=O)OC1
Compound: scutebarbatine E
SMILES: C[C@]1(O)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2cccnc2)[C@]2(C)[C@H](CCC(=O)C2=C)[C@@]1(C)\C=C\C1=CC(=O)OC1
Compound: scutebarbatine F
SMILES: CC(=O)O[C@H]1C[C@]2(COC(=O)C2)O[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(=O)c3cccnc3)[C@]3(C)[C@H](CCC=C3C)[C@@]12C
Compound: scutebarbatine G
SMILES: CC1=CCC[C@H]2[C@@]1(C)[C@@H](O)[C@H](O)[C@]1(C)O[C@@]3(COC(=O)C3)C[C@H](OC(=O)c3cccnc3)[C@]21C
Compound: scutebarbatine H
SMILES: CC1=CCC[C@@H]2[C@@](C)([C@H]3CC4=C(O3)C(=O)OC4)[C@@](C)(O)[C@@H](O)[C@H](OC(=O)c3cccnc3)[C@@]12C
Compound: Scutebarbatine I(rel)
SMILES: [H][C@]12C[C@H](OCC)O[C@@]1([H])O[C@@]([H])(C2)[C@@]1(C)[C@H](C)C[C@H](OC(=O)c2cccnc2)[C@]2(COC(C)=O)[C@]1([H])CCC[C@]21CO1
Compound: magnoshinin
SMILES: COc1cc(OC)c(cc1OC)[C@@H]1[C@@H](C)C(C)=Cc2c(OC)cc(OC)c(OC)c12
Compound: Scutebarbatine J(rel)
SMILES: [H][C@]12C[C@@H](OCC)O[C@@]1([H])O[C@@]([H])(C2)[C@@]1(C)[C@H](C)C[C@H](OC(=O)c2cccnc2)[C@]2(COC(C)=O)[C@]1([H])CCC[C@]21CO1
Compound: Scutebarbatine K(rel)
SMILES: [H][C@]12CCC=C(C)[C@]1(C)[C@@H](OC(=O)c1cccnc1)[C@H](OC(C)=O)[C@](C)(O)[C@]2(C)\C=C\C1=CC(=O)OC1
Compound: Scutebarbatine L(rel)
SMILES: [H][C@]12CCC=C(C)[C@]1(C)[C@@H](OC(=O)c1cccnc1)[C@H](OC(=O)C(OC(C)=O)C(C)C)[C@](C)(O)[C@]2(C)\C=C\C1=CC(=O)OC1
Compound: scutianthraquinone A
SMILES: CCC(C)C(=O)OC1(c2ccc3C(=O)c4cc(O)c(C(=O)OC)c(C)c4C(=O)c3c2O)c2cccc(O)c2C(=O)c2c(C)c(C(=O)OC)c(O)cc12
Compound: scutianthraquinone B
SMILES: COC(=O)c1c(O)cc2C(=O)c3ccc(c(O)c3C(=O)c2c1C)C1(OC(=O)C(C)C)c2cccc(O)c2C(=O)c2c(C)c(C(=O)OC)c(O)cc12
Compound: scutianthraquinone C
SMILES: COC(=O)c1c(O)cc2C(=O)c3ccc(c(O)c3C(=O)c2c1C)C1(O)c2cccc(O)c2C(=O)c2c(C)c(C(=O)OC)c(O)cc12
Compound: scytalidamide A
SMILES: [H][C@@]12CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)N(C)C2=O
Compound: scytalidamide B
SMILES: [H][C@@]12[C@@H](C)CCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)N(C)C2=O
Compound: secoaggregatalactone A
SMILES: CCCCCCCCCC\C=C(/[C@H](O)C(C)=O)C(=O)OC
Compound: 3,4-secoisopimara-4(18),7,15-triene-3-oic acid
SMILES: [H][C@]12CC[C@@](C)(CC1=CC[C@@H](C(C)=C)[C@]2(C)CCC(O)=O)C=C
Compound: Mahanimbine
SMILES: CC(C)=CCCC1(C)Oc2c(C)cc3c4ccccc4[nH]c3c2C=C1
Compound: selinone
SMILES: CC(C)=CCOc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Compound: semicochliodinol A
SMILES: CC(C)=CCc1ccc2[nH]cc(C3=C(O)C(=O)C(=C(O)C3=O)c3c[nH]c4ccccc34)c2c1
Compound: semicochliodinol B
SMILES: C=1(C(C(C=2C=3C=CC=CC3NC2)=C(O)C(=O)C1C=4C5=C(NC4)C=C(C=C5)CC=C(C)C)=O)O
Compound: 4-senecioyloxymethyl-6,7-dimethoxycoumarin
SMILES: COc1cc2oc(=O)cc(COC(=O)C=C(C)C)c2cc1OC
Compound: E-senegasaponin a
SMILES: [H][C@]1(OC[C@@H](O[C@]2([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)O[C@H]1[C@H](C)O[C@@]([H])(O[C@@H]2[C@@H](O)[C@@H](OC(=O)\C=C\c3ccc(OC)cc3)[C@@H](C)O[C@H]2OC(=O)[C@]23CCC(C)(C)C[C@@]2([H])C2=CC[C@]4([H])[C@@]5(C)C[C@H](O)[C@H](O[C@]6([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(C(O)=O)[C@]5([H])CC[C@@]4(C)[C@]2(CO)CC3)[C@H](O)[C@@H]1O[C@]1([H])OC[C@](O)(CO)[C@H]1O
Compound: Z-senegasaponin a
SMILES: [H][C@]1(OC[C@@H](O[C@]2([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)O[C@H]1[C@H](C)O[C@@]([H])(O[C@@H]2[C@@H](O)[C@@H](OC(=O)\C=C/c3ccc(OC)cc3)[C@@H](C)O[C@H]2OC(=O)[C@]23CCC(C)(C)C[C@@]2([H])C2=CC[C@]4([H])[C@@]5(C)C[C@H](O)[C@H](O[C@]6([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(C(O)=O)[C@]5([H])CC[C@@]4(C)[C@]2(CO)CC3)[C@H](O)[C@@H]1O[C@]1([H])OC[C@](O)(CO)[C@H]1O
Compound: E-senegasaponin b
SMILES: [H][C@]1(OC[C@@H](O[C@]2([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)O[C@H]1[C@H](C)O[C@@]([H])(O[C@@H]2[C@@H](O)[C@@H](OC(=O)\C=C\c3ccc(OC)cc3)[C@@H](C)O[C@H]2OC(=O)[C@]23CCC(C)(C)C[C@@]2([H])C2=CC[C@]4([H])[C@@]5(C)C[C@H](O)[C@H](O[C@]6([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(C(O)=O)[C@]5([H])CC[C@@]4(C)[C@]2(CO)CC3)[C@H](O)[C@@H]1O
Compound: Z-senegasaponin b
SMILES: [H][C@]1(OC[C@@H](O[C@]2([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)O[C@H]1[C@H](C)O[C@@]([H])(O[C@@H]2[C@@H](O)[C@@H](OC(=O)\C=C/c3ccc(OC)cc3)[C@@H](C)O[C@H]2OC(=O)[C@]23CCC(C)(C)C[C@@]2([H])C2=CC[C@]4([H])[C@@]5(C)C[C@H](O)[C@H](O[C@]6([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(C(O)=O)[C@]5([H])CC[C@@]4(C)[C@]2(CO)CC3)[C@H](O)[C@@H]1O
Compound: senegin III
SMILES: [H][C@]1(OC[C@@H](O[C@]2([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)O[C@H]1[C@H](C)O[C@@]([H])(O[C@H]2[C@@H](O[C@H](C)[C@H](OC(=O)C=Cc3ccc(OC)cc3)[C@@H]2O[C@]2([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)OC(=O)[C@]23CCC(C)(C)C[C@@]2([H])C2=CC[C@]4([H])[C@@]5(C)C[C@H](O)[C@H](O[C@]6([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(C(O)=O)[C@]5([H])CC[C@@]4(C)[C@]2(CO)CC3)[C@H](O)[C@@H]1O
Compound: mahuannin D
SMILES: O[C@@H]1Cc2c(O)cc3O[C@@]4(C[C@@H](c5c(O)cc(O)cc5O4)c3c2O[C@@H]1c1ccc(O)cc1)c1ccc(O)cc1
Compound: (+)-sesamin
SMILES: [C@]12([C@@]([C@H](OC1)C3=CC4=C(C=C3)OCO4)(CO[C@@H]2C5=CC6=C(C=C5)OCO6)[H])[H]
Compound: Seselidiol
SMILES: CCCCCCCC(O)\C=C/C#CC#CC(O)C=C
Compound: 10alpha-hydroperoxy-guaia-1,11-diene
SMILES: [H][C@@]12C[C@@H](CC[C@@](C)(OO)C1=CC[C@@H]2C)C(C)=C
Compound: 1alpha-hydroperoxy-guaia-10(15),11-diene
SMILES: [H][C@@]12C[C@@H](CCC(=C)[C@@]1(CC[C@@H]2C)OO)C(C)=C
Compound: 15alpha-hydroperoxy-guaia-1(10),11-diene
SMILES: [H][C@@]12C[C@@H](CCC(COO)=C1CC[C@@H]2C)C(C)=C
Compound: sesterstatin 1
SMILES: [H][C@@]12CC[C@@]3(C)[C@]4([H])CCC5=C(C(=O)OC5)[C@@]4(C)[C@H](O)C[C@]3([H])[C@@]1(C)CC[C@H](O)C2(C)C
Compound: sesterstatin 2
SMILES: [H][C@@]12CC[C@@]3(C)[C@]4([H])CCC5=C(C(=O)OC5)[C@@]4(C)[C@H](O)C[C@]3([H])[C@@]1(C)CCC[C@]2(C)CO
Compound: sesterstatin 3
SMILES: [H][C@@]12CC[C@@]3(C)[C@]4([H])CCC5=C(C(=O)OC5)[C@@]4(C)[C@H](O)C[C@]3([H])[C@@]1(C)CCC[C@@]2(C)CO
Compound: Sg17-1-4
SMILES: [H][C@]1(CC(=O)OC(C)(O)[C@H](C)N1)[C@H](O)[C@H](O)C(=O)N[C@@H](CC(C)C)[C@]1([H])Cc2cccc(O)c2C(=O)O1
Compound: siamenol
SMILES: CC(C)=CCc1cc2c(cc1O)[nH]c1ccc(C)cc21
Compound: sibiskoside
SMILES: CC(C)=C[C@H]1C\C(=C\CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O1
Compound: Sieboldine A(rel)
SMILES: [H][C@]12CC[C@@]3(O1)C(=O)C[C@@]1([H])C[C@H](C)CC(=O)[C@@]31CCCN2O
Compound: sigmoidin A
SMILES: CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)c(CC=C(C)C)c(O)c1O
Compound: sigmoidin B
SMILES: CC(C)=CCc1cc(cc(O)c1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Compound: silvestrol
SMILES: [H][C@@]1(CO[C@@H](OC)[C@H](Oc2cc(OC)c3c(O[C@]4([C@@H]([C@H]([C@@H](O)[C@@]34O)C(=O)OC)c3ccccc3)c3ccc(OC)cc3)c2)O1)[C@H](O)CO
Compound: epi-silvestrol
SMILES: [H][C@@]1(CO[C@@H](OC)[C@H](Oc2cc(OC)c3c(O[C@]4([C@@H]([C@H]([C@@H](O)[C@@]34O)C(=O)OC)c3ccccc3)c3ccc(OC)cc3)c2)O1)[C@@H](O)CO
Compound: simalikalactone D
SMILES: [H][C@@]12C[C@@]3([H])C(C)=CC(=O)[C@@H](O)[C@]3(C)[C@@]3([H])[C@@H](O)[C@H](O)[C@]4(C)OC[C@@]13[C@@]4([H])[C@@H](OC(=O)[C@H](C)CC)C(=O)O2
Compound: sinularia glycoside
SMILES: [H][C@]1(O[C@@H](C)[C@@H](OC(C)=O)[C@@H](O)[C@@H]1O)O[C@H]1CC[C@@]2(C)C(C1)=C[C@H](O)[C@]1([H])[C@]2([H])CC[C@@]2(C)[C@@]1([H])C[C@H](O)[C@]2([H])[C@H](C)CCC(=C)C(C)C
Compound: 6,7-Di-O-nicotinoylscutebarbatine G, (rel)
SMILES: [H][C@]12CCC=C(C)[C@]1(C)[C@@H](OC(=O)c1cccnc1)[C@H](OC(=O)c1cccnc1)[C@]1(C)O[C@@]3(COC(=O)C3)C[C@H](OC(=O)c3cccnc3)[C@]21C
Compound: 6-O-Nicotinoyl-7-O-acetylscutebarbatine G, (rel)
SMILES: [H][C@]12CCC=C(C)[C@]1(C)[C@@H](OC(=O)c1cccnc1)[C@H](OC(C)=O)[C@]1(C)O[C@@]3(COC(=O)C3)C[C@H](OC(=O)c3cccnc3)[C@]21C
Compound: 7-O-Nicotinoyl scutebarbatine H, (rel)
SMILES: [H][C@@]1(CC2=C(O1)C(=O)OC2)[C@]1(C)[C@@]2([H])CCC=C(C)[C@]2(C)[C@@H](OC(=O)c2cccnc2)[C@H](OC(=O)c2cccnc2)[C@]1(C)O
Compound: yahyaxanthone
SMILES: COc1cc(OC)c2c(oc3c4C=CC(C)(C)Oc4c(OC)c(O)c3c2=O)c1OC
Compound: yinyanghuo A
SMILES: CC(=C)C(O)Cc1cc(cc2C=CC(C)(C)Oc12)-c1cc(=O)c2c(O)cc(O)cc2o1
Compound: yinyanghuo B
SMILES: CC(C)=CCc1cc(cc(CC(O)C(C)=C)c1O)-c1cc(=O)c2c(O)cc(O)cc2o1
Compound: YM-47141
SMILES: [H][C@]1(NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)Cc2ccccc2)[C@@H](C)O)[C@@H](C)OC(=O)[C@@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)C(=O)C(=O)[C@H](CC(C)C)NC1=O
Compound: YM-47142
SMILES: [H][C@]1(NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CC(C)C)[C@@H](C)O)[C@@H](C)OC(=O)[C@@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)C(=O)C(=O)[C@H](CC(C)C)NC1=O
Compound: YM-47522
SMILES: CCC[C@@H](C)[C@H](OC(=O)\C=C\c1ccccc1)[C@H](C)[C@H](O)C\C=C\C=C/C(N)=O
Compound: Ys-II
SMILES: [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])C[C@]3([H])O[C@]5(CC[C@@H](C)CO5)[C@@H](C)[C@]43[H])[C@@]1(C)CC[C@@H](C2)O[C@]1([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: Ys-IV
SMILES: [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])C[C@]3([H])O[C@]5(CC[C@@H](C)CO5)[C@@H](C)[C@]43[H])[C@@]1(C)CC[C@@H](C2)O[C@]1([H])O[C@H](CO)[C@H](O)[C@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: yuccalan
SMILES: [H][C@@]1(OC[C@H]2O[C@@]([H])(O[C@H]3CC[C@@]4(C)[C@]([H])(C3)[C@@H](O)C[C@]3([H])[C@]4([H])CC[C@@]4(C)[C@@]3([H])C[C@]3([H])O[C@]5(CC[C@@H](CO)CO5)[C@@H](C)[C@]43[H])[C@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Compound: malic acid
SMILES: OC(CC(O)=O)C(O)=O
Compound: zaluzanin D
SMILES: [H][C@@]12C[C@H](OC(C)=O)C(=C)[C@]1([H])[C@H]1OC(=O)C(=C)[C@@H]1CCC2=C
Compound: zarzissine
SMILES: Nc1nc2cnncc2[nH]1
Compound: zerumboneoxide
SMILES: [H][C@]12CC(C)(C)\C=C\C(=O)\C(C)=C\CC[C@@]1(C)O2
Compound: zhankuic acid A
SMILES: [H][C@@]1(CC[C@@]2([H])C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@]1([H])CC3=O)[C@H](C)CCC(=C)C(C)C(O)=O
Compound: zhankuic acid B
SMILES: [H][C@@]1(CC[C@@]2([H])C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@@H](O)[C@@H](C)[C@]1([H])CC3=O)[C@H](C)CCC(=C)C(C)C(O)=O
Compound: zhankuic acid C
SMILES: [H][C@@]1(CC[C@@]2([H])C3=C(C(=O)[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)[C@@H](C)[C@]1([H])CC3=O)[C@H](C)CCC(=C)C(C)C(O)=O
Compound: zinolol
SMILES: CNCc1cc(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O
Compound: sinularolide B
SMILES: [H][C@]12C[C@]3([H])C(=C)C(=O)O[C@@]3([H])[C@H](O)\C(C)=C\CC\C(C)=C\CC[C@@]1(CO)O2
Compound: sinularolide C
SMILES: [H][C@]12C[C@]3([H])C(=C)C(=O)O[C@@]3([H])[C@@H](O)\C(C)=C\CC\C(C)=C\CC[C@@]1(CO)O2
Compound: sinularolide D
SMILES: [H][C@]12C\C(C)=C\CC\C(C)=C\CC[C@@]3(CO)O[C@@]3([H])C[C@]1([H])C(=C)C(=O)O2
Compound: sinularolide E
SMILES: [H][C@]12C[C@]3([H])C(=C)C(=O)O[C@@]3([H])[C@H](O)\C(C)=C\CC\C(C)=C\CC[C@@]1(C)O2
Compound: beta-sitosterol glucoside-3'-O-hexacosanoicate
SMILES: [H][C@@]1(O[C@H]2CC[C@@]3(C)C(C2)=CC[C@]2([H])[C@]3([H])CC[C@]3(C)[C@]([H])(CC[C@@]23[H])[C@H](C)CC[C@@H](CC)C(C)C)O[C@H](CO)[C@@H](O)[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)[C@H]1O
Compound: somocystinamide A
SMILES: CN(\C=C\CC=C)C(=O)CCCCCCCC\C=C\[C@H](CSSC[C@H](NC(C)=O)\C=C\CCCCCCCCC(=O)N(C)\C=C\CC=C)NC(C)=O
Compound: sophoraflavanone L
SMILES: CC(C)=CCOc1cc(O)c2C(=O)CC(Oc2c1CC=C(C)C)c1ccc(O)cc1O
Compound: sorocenol G
SMILES: [H][C@]12CC(C)=C[C@]3([H])c4c(O)cc(cc4O[C@@](Oc4cc(O)ccc14)(c1ccc(O)c4C=CC(C)(C)Oc14)[C@@]23[H])-c1cc2ccc(O)cc2o1
Compound: sorocenol H
SMILES: CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](CC(C)=C[C@H]2c2c(O)cc(cc2O)-c2cc3ccc(O)cc3o2)c2ccc(O)cc2O)c1O
Compound: soulattrolide
SMILES: C[C@@H]1Oc2c3C=CC(C)(C)Oc3c3c(cc(=O)oc3c2[C@@H](O)[C@H]1C)-c1ccccc1
Compound: SPF-32629A
SMILES: CC(C)CC(=O)OC(c1ccccc1)c1cc(O)cc(=O)[nH]1
Compound: SPF-32629B
SMILES: CC(C)CC(=O)OC(c1ccccc1)c1cc(O)c(C(O)=O)c(=O)[nH]1
Compound: halisphingosine A
SMILES: CCCCCCCCCC\C=C/[C@H](O)CC[C@@H](O)[C@H](N)CO
Compound: spiculoic acid A
SMILES: [H][C@@]12[C@@H](C)C(=O)[C@H](CC)[C@@]1([H])[C@](CC)(C(O)=O)[C@@](CC)(C=C2CC)\C=C\c1ccccc1
Compound: stachsterol
SMILES: [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@@](C)(O)CCCC(C)(C)O
Compound: stevastelin B
SMILES: CCCCCCCCCCCCC[C@H]1OC(=O)[C@H](COC(C)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)[C@H](O)[C@H]1C)C(C)C)[C@@H](C)O
Compound: stevastelin B3
SMILES: CCCCCCCCCCCCC[C@@H](O)[C@H](C)[C@H]1OC(=O)[C@H](COC(C)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1C)C(C)C)[C@@H](C)O
Compound: streptokordin
SMILES: CC(=O)c1cc(C)[nH]c(=O)c1
Compound: streptoverticillin
SMILES: COc1c(C)c(C[C@@H](C)O)c2[nH]c3ccccc3c2c1OC
Compound: strongylin A
SMILES: [H][C@@]12CC[C@H](C)[C@@]3(C)Cc4c(OC)ccc(O)c4O[C@@]13CCCC2(C)C
Compound: strongylophorine-26
SMILES: [H][C@]12CC[C@](C)(O)[C@@H](CC3=CC(=O)C=C(OC)C3=O)[C@]1(C)CC[C@@]1([H])[C@]3(C)CCC[C@]21COC3=O
Compound: strychnogucine A
SMILES: [H][C@]12C[C@]3([H])N(C\C1=C\C)[C@]([H])(C[C@@]31c3ccccc3N3C(=O)CC=C2[C@@]13[H])[C@]1([H])C(=O)N2c3ccccc3[C@]34CCN5CC6=CCO[C@]1([H])[C@]([H])([C@@]6([H])C[C@@]35[H])[C@]24[H]
Compound: strychnogucine B
SMILES: [H][C@@]12CC(=O)N3c4ccccc4[C@]45C[C@@H](N6CC(=CCO1)[C@]([H])(C[C@@]46[H])[C@]2([H])[C@]35[H])C1=C[C@@]2([H])[C@@]3([H])C[C@]4([H])N(CC[C@@]44c5ccccc5N(C1=O)[C@@]24[H])C\C3=C\CO
Compound: suaveolindole
SMILES: C[C@@H]1CCC([C@@H](CCC(O)=O)[C@]1(C)Cc1c[nH]c2ccccc12)=C(C)C
Compound: suberosol
SMILES: [H][C@@]1(C[C@H](O)[C@@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)[C@H](C)CCC(=C)C(C)C
Compound: (+)-subersic acid
SMILES: [H][C@@]12CCC(C)=C(CC\C(C)=C\Cc3cc(ccc3O)C(O)=O)[C@@]1(C)CCCC2(C)C
Compound: subulatin
SMILES: OCC(O)[C@H]1OC(=C[C@@H](OC(=O)\C=C\c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)[C@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O
Compound: surugapyrrole A
SMILES: Cc1cc(C(=O)NCCC(O)=O)n(O)c1
Compound: surugapyrrole B
SMILES: OC(=O)CCNC(=O)c1cccn1O
Compound: swertifrancheside
SMILES: COc1cc(O)c2c(c1)oc1c(O)cc(c(O)c1c2=O)-c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c2c1oc(cc2=O)-c1ccc(O)c(O)c1
Compound: swertipunicoside
SMILES: COc1cc(O)c2c(c1)oc1c(O)cc(c(O)c1c2=O)-c1c(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c2c1oc1cc(O)c(O)cc1c2=O
Compound: syncarpamide
SMILES: COc1ccc(cc1OC)[C@@H](CNC(=O)\C=C\c1ccccc1)OC(=O)\C=C\c1ccccc1
Compound: laccaridione A
SMILES: CCC(C)\C=C(C)\C1=Cc2cc3C=C(OC)C(=O)C(=O)c3c(O)c2C(OC)O1
Compound: laccaridione B
SMILES: CCOC1OC(=Cc2cc3C=C(OC)C(=O)C(=O)c3c(O)c12)\C(C)=C\C(C)CC
Compound: lancifodilactone F
SMILES: [H][C@]12CC[C@]3(C)[C@]([H])(CC[C@@]3(C)[C@@]1([H])CC[C@@]([H])([C@](C)(O)CO)[C@@]1(CCC(=O)O1)C2)[C@H](C)C(O)=O
Compound: lancifodilactone G
SMILES: [H][C@@]12CC(=O)O[C@@]11C[C@]34CC[C@]5(C)C(=O)[C@@H](C)[C@@]6([H])[C@]5([H])[C@@](O3)(O[C@@]63C[C@H](C)C(=O)O3)C(O)=C4CC[C@@]1([H])[C@](C)(CO)O2
Compound: lancilactone C
SMILES: [H][C@]1(CC=C(C)C(=O)O1)[C@@H](C)[C@@]1([H])CC[C@@]2(C)C3=C(CC[C@]12C)C=C(CCC(O)=O)C(C=C3)=C(C)C
Compound: lansioside A
SMILES: [H][C@@]1(CC[C@]2(C)[C@@H](CC[C@H]3C(C)=CC[C@@H](C(C)=C)[C@]3(C)CCC(O)=O)C(=C)CC[C@@]2([H])C1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O
Compound: largamide D
SMILES: [H][C@]12CC[C@@H](O)N(C1=O)[C@@]([H])([C@H](C)O)C(=O)N(C)[C@@H](Cc1ccc(O)c(Br)c1)C(=O)N[C@@H](C(C)C)C(=O)O[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCc1ccc(O)cc1)NC(=O)[C@H](O)CO)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N2
Compound: lamellarin alpha 20-sulfate
SMILES: [Na+].COc1ccc(cc1O)-c1c2c3cc(OC)c(OS([O-])(=O)=O)cc3oc(=O)c2n2ccc3cc(OC)c(OC)cc3c12
Compound: lanigerol
SMILES: [H][C@@]12CCc3cc(C(C)C)c(O)cc3C[C@@]1(O)CCCC2(C)C
Compound: largamide E
SMILES: [H][C@]12CC[C@@H](O)N(C1=O)[C@@]([H])([C@H](C)O)C(=O)N(C)[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)O[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCc1ccc(O)cc1)NC(=O)[C@H](O)CO)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N2
Compound: largamide F
SMILES: [H][C@]12CC[C@@H](O)N(C1=O)[C@@]([H])([C@H](C)O)C(=O)N(C)[C@@H](Cc1ccc(O)c(Br)c1)C(=O)N[C@@H](C(C)C)C(=O)O[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCc1ccc(O)cc1)NC(=O)[C@H](O)CO)C(C)C)C(=O)N[C@@H](Cc1ccc(C)cc1)C(=O)N2
Compound: largamide G
SMILES: [H][C@]12CC[C@@H](O)N(C1=O)[C@@]([H])([C@H](C)O)C(=O)N(C)[C@@H](Cc1ccc(O)c(Br)c1)C(=O)N[C@@H](C(C)C)C(=O)O[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCc1ccc(O)cc1)NC(=O)[C@H](O)CO)C(C)C)C(=O)N[C@@H](CCc1ccc(O)cc1)C(=O)N2
Compound: lactonamycin
SMILES: [H][C@@]1(CC[C@H](O)[C@H](C)O1)O[C@@]12CO[C@]3(CC(=O)O[C@@]13C(=O)c1c(O)c3c4CN(C)C(=O)c4c(O)cc3cc1C2=O)OC
Compound: laurebiphenyl
SMILES: [H][C@]12CC[C@@](C)(c3cc(c(C)cc3O)-c3cc(c(O)cc3C)[C@]3(C)CC[C@]4([H])C[C@]34C)[C@@]1(C)C2
Compound: laurinterol
SMILES: [H][C@]12CC[C@@](C)(c3cc(Br)c(C)cc3O)[C@@]1(C)C2
Compound: debromolaurinterol
SMILES: [H][C@]12CC[C@@](C)(c3ccc(C)cc3O)[C@@]1(C)C2
Compound: laurolistine
SMILES: [H][C@@]12Cc3cc(O)c(OC)cc3-c3c(OC)c(O)cc(CCN1)c23
Compound: 8-lavandulylkaempferol
SMILES: CC(C)=CCC(Cc1c(O)cc(O)c2c1oc(-c1ccc(O)cc1)c(O)c2=O)C(C)=C
Compound: leachianone A
SMILES: COc1cc(O)ccc1[C@@H]1CC(=O)c2c(O)cc(O)c(C[C@@H](CC=C(C)C)C(C)=C)c2O1
Compound: Mallotochromene
SMILES: COc1c(C)c(O)c(C(C)=O)c(O)c1Cc1c(O)c2C=CC(C)(C)Oc2c(C(C)=O)c1O
Compound: lespeflorin A3
SMILES: CC(C)=CCc1cc2C(=O)C[C@H](Oc2c(CC=C(C)C)c1O)c1ccc2OC(C)(C)C=Cc2c1
Compound: lespeflorin B2
SMILES: CC(C)=CCc1cc2C(=O)[C@H](O)[C@H](Oc2c(CC=C(C)C)c1O)c1ccc(O)cc1
Compound: lespeflorin B3
SMILES: CC(C)=CCc1cc(ccc1O)[C@H]1Oc2c(CC=C(C)C)c(O)c(CC=C(C)C)cc2C(=O)[C@@H]1O
Compound: lespeflorin B4
SMILES: CC(C)=CCc1cc(ccc1O)[C@H]1Oc2c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c2C(=O)[C@@H]1O
Compound: lespeflorin C3
SMILES: COc1cc(O)c(CC=C(C)C)cc1C(=O)[C@@H](O)Cc1ccc(O)cc1
Compound: lespeflorin G2
SMILES: [H][C@@]12COc3cc(O)c(CC=C(C)C)cc3[C@]1([H])Oc1c(CC=C(C)C)c(OC)c(O)cc21
Compound: lespeflorin G3
SMILES: [H][C@@]12COc3cc(O)c(CC=C(C)C)c(OC)c3[C@]1([H])Oc1c(CC=C(C)C)c(OC)c(O)cc21
Compound: lespeflorin G5
SMILES: [H][C@@]12COc3c(CC=C(C)C)c(O)ccc3[C@]1([H])Oc1c(CC=C(C)C)c(O)c(C)cc21
Compound: lespeflorin G8
SMILES: [H][C@@]12COc3cc(OC)ccc3[C@]1([H])Oc1c(CC=C(C)C)c(OC)c(O)cc21
Compound: lespeflorin G10
SMILES: [H][C@@]12COc3cc(O)ccc3[C@]1([H])Oc1c(CC=C(C)C)c(O)c(C)cc21
Compound: Mallotophenone
SMILES: COc1c(C)c(O)c(C(C)=O)c(O)c1Cc1c(O)c(C(C)=O)c(O)c(C)c1OC
Compound: lespeflorin H2
SMILES: COc1ccc-2c(OCc3c-2oc2c4C=CC(C)(C)Oc4c(O)cc32)c1
Compound: leucisterol
SMILES: [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@@](C)(O)\C=C\[C@@H](CC)C(C)C
Compound: leucosesterterpenone
SMILES: [H][C@]12CC[C@@H](C)[C@]1([H])[C@@](O)(C(=O)[C@@H](C)C[C@H]1[C@H](O)C=C(C)C1=O)[C@]1(O)C=C(C)CO[C@]1(O)[C@@H]2C
Compound: leucosesterlactone
SMILES: [H][C@]12CC[C@@H](C)[C@]1([H])[C@@](O)(C(=O)[C@@H](C)CC[C@H]1OC(=O)C=C1C)C1=CC(C)(C)O[C@]1(O)[C@@H]2C
Compound: leucospiroside A
SMILES: [H][C@@]1(O[C@@H]2C[C@]3([H])[C@H](O)C[C@]4([H])[C@]([H])(CC[C@@]5(C)[C@@]4([H])C[C@]4([H])O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@]54[H])[C@@]3(C)C[C@H]2O)O[C@H](CO)[C@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O[C@]3([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O[C@]3([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O
Compound: leufolin A
SMILES: O[C@@H]1[C@@H](COC(=O)\C=C\c2ccc(O)cc2)O[C@@H](Oc2ccc(cc2)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2)[C@H](O)[C@H]1O
Compound: leufolin B
SMILES: O[C@@H]1[C@@H](COC(=O)\C=C\c2ccc(O)cc2)O[C@@H](Oc2ccc(cc2)[C@@H]2CC(=O)c3cc(O)cc(O)c3O2)[C@H](O)[C@H]1O
Compound: lindechunine A
SMILES: COc1c(O)ccc2C(=O)c3nccc4c(OC)c5OCOc5c(-c12)c34
Compound: liphagal
SMILES: [H][C@@]12CC[C@@H](C)c3oc4c(C=O)c(O)c(O)cc4c3[C@@]1(C)CCCC2(C)C
Compound: lissoclibadin 1
SMILES: COc1c(OC)c2sc3c(CCN(C)C)c(SC)c(OC)c(OC)c3sc3c(OC)c(OC)c(SC)c(CCN(C)C)c3ssc2c(CCN(C)C)c1SC
Compound: Mallotusinic acid
SMILES: OC(=O)c1cc(O)c(O)c(O)c1Oc1cc2c(c(O)c1O)-c1c(O)c(O)c(O)cc1C(=O)O[C@H]1[C@@H]3OC(=O)C4=CC(=O)[C@]5(O)Oc6c(O)c(O)cc(c6[C@H]4C5(O)O)C(=O)O[C@H]1[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O[C@@H]3COC2=O
Compound: lissoclibadin 2
SMILES: COc1c(OC)c2ssc3c(CCN(C)C)c(SC)c(OC)c(OC)c3sc2c(CCN(C)C)c1SC
Compound: lissoclibadin 3
SMILES: COc1c(OC)c2Sc3c(CCN(C)C)c(SC)c(OC)c(OC)c3Sc2c(CCN(C)C)c1SC
Compound: litseaefoloside C
SMILES: COc1cc(ccc1O)C(=O)OCc1ccc(O[C@@H]2O[C@H](COC(=O)\C=C\c3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1
Compound: littorachalcone
SMILES: Oc1ccc(C(=O)CCc2ccc(Oc3ccc(CCC(=O)c4ccc(O)cc4O)cc3O)cc2)c(O)c1
Compound: LMG-4
SMILES: [H][C@]1(O[C@H](CO)[C@H](O)[C@H](O[C@@]2(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O2)[C@H](O)[C@@H](CO)O[C@]2(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O2)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H]1O)O[C@H]1[C@H](O)[C@@H](O)[C@H](OC[C@H](NC(=O)[C@H](O)CCCCCCCCCCCCCCCCCCCC)[C@H](O)[C@H](O)CCCCCCCCCCCCC)O[C@@H]1CO
Compound: lobohedleolide
SMILES: [H][C@@]12OC(=O)C(=C)[C@]1([H])CC\C(C)=C\CC\C(=C/CC\C(C)=C\2)C(O)=O
Compound: (7Z)-lobohedleolide
SMILES: [H][C@@]12OC(=O)C(=C)[C@]1([H])CC\C(C)=C\CC\C(=C\CC\C(C)=C\2)C(O)=O
Compound: 17-dimethylaminolobohedleolide
SMILES: [H][C@@]12CC\C(C)=C\CC\C(=C\CC\C(C)=C\[C@]1([H])OC(=O)[C@H]2CN(C)C)C(O)=O
Compound: locoracemoside B
SMILES: COc1ccc(CO[C@@H]2O[C@H](CO[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@H](O)[C@H](OC(=O)c3ccccc3)[C@H]2O)cc1
Compound: locoracemoside C
SMILES: COc1cc(CO[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H]2O)cc(OC)c1OC
Compound: longicalycinin A
SMILES: N1C([C@@H](NC([C@]2(N(CCC2)C(=O)[C@@H](NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C1)CC4=CC=C(C=C4)O)[H])=O)CC5=CC=CC=C5)=O
Compound: longipedumin A
SMILES: COc1cc2C[C@@H](C)[C@@H](C)[C@@H](OC(=O)\C=C\c3ccccc3)c3cc4OCOc4c(OC)c3-c2c(O)c1OC
Compound: lucensimycin E
SMILES: [H][C@]12C[C@@H](\C=C\C=C\C=C\C(O)=O)[C@@]3(C(=O)O[C@H](CSC[C@@H](NC(C)=O)C(O)=O)C3=O)C(=O)[C@]1(C)[C@@]1([H])C[C@@H](OC(C)=O)[C@H](C)[C@@H](O)[C@]1([H])C=C2
Compound: lucialdehyde B
SMILES: CC1(C)C(=O)CC[C@@]2(C3=C(C(C[C@@]12[H])=O)[C@@]4(CC[C@@]([C@@]4(C)CC3)([C@@H](CC/C=C(/C=O)\C)C)[H])C)C
Compound: lucialdehyde C
SMILES: [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3=O)[C@H](C)CC\C=C(/C)C=O
Compound: lucidenic acid N
SMILES: [H][C@@]1(CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])C[C@@H]3O)[C@H](C)CCC(O)=O
Compound: lucidumoside C
SMILES: CCOC(COC(=O)C[C@H]1\C(=C/C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C1C(=O)OC)c1ccc(O)c(O)c1
Compound: lupulin A
SMILES: [H][C@]1(CC2C[C@H](OC)OC2O1)[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@]1([H])C[C@@H](O)[C@H](OC(=O)C(C)CC)[C@]21CO1
Compound: luzonial A
SMILES: [H][C@@]12[C@@H](O)OC[C@]1(O)[C@H](C[C@@H]2C(=C)C=O)OC(=O)\C=C\c1ccc(O)cc1
Compound: luzonial B
SMILES: [H][C@@]12[C@@H](O)OC[C@]1(O)[C@H](C[C@@H]2C(=C)C=O)OC(=O)\C=C/c1ccc(O)cc1
Compound: 1-Peroxyferolide
SMILES: CC(=O)O[C@@H]1CC(=C)[C@@H](CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12)OO
Compound: luzonidial B
SMILES: OCC1=C(C=O)[C@H](C[C@@H]1OC(=O)\C=C/c1ccc(O)cc1)C(=C)C=O
Compound: lychnostatin 1
SMILES: [H][C@]12OC(=O)C(=C)[C@]1([H])[C@H](C[C@@](C)(OC(C)=O)C(=O)CC[C@H](C)[C@@H]2O)OC(=O)C(C)=C
Compound: lychnostatin 2
SMILES: [H][C@@]12C[C@@H](C)CCC(=O)[C@@](C)(C[C@H](OC(=O)C(C)=C)[C@@]1([H])C(=C)C(=O)O2)OC(C)=O
Compound: lycojapodine A
SMILES: [H][C@]12C[C@@H](C)C[C@@]3(OC(=O)C1)N1CCCC(=O)[C@]23CCC1
Compound: lycoperine A
SMILES: [H][C@]12C[C@@H](C)CC(C[C@@H]3CCC[C@H](CC4=C5CCCN(C(C)=O)[C@@]5([H])C[C@@H](C)C4)N3)=C1CCCN2C(C)=O
Compound: (+)-lyoniresinol 4,4'-bis-O-beta-D-glucopyranoside
SMILES: COc1cc(cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1[C@@H](CO)[C@H](CO)Cc2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c12
Compound: (+)-lyoniresinol-3-alpha-O-beta-D-glucopyranoside
SMILES: COc1cc(cc(OC)c1O)[C@@H]1[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](CO)Cc2cc(OC)c(O)c(OC)c12
Compound: lyratol C
SMILES: [H][C@@]1(CC[C@]2(C)[C@@H](O)[C@H](O)CC(=C)[C@@]2([H])C1)C(C)(O)CO
Compound: lyratol D
SMILES: Cc1cc(O)cc(C)c1C[C@@H]1CC(=O)OC1(C)C
Compound: lespeflorin D1
SMILES: COc1c(ccc(O)c1CC=C(C)C)[C@@H]1COc2c(CC=C(C)C)c(O)ccc2C1=O
Compound: nalanthalide
SMILES: [H][C@@]12CCC(=C)[C@@H](Cc3c(OC)oc(C)c(C)c3=O)[C@@]1(C)CC[C@H](OC(C)=O)[C@@]2(C)CCC=C(C)C
Compound: nardoperoxide
SMILES: CC(C)[C@@]12CC[C@@](C)(OO1)C1=C([C@H](C)CC1=O)[C@H]2O
Compound: isonordoperoxide
SMILES: CC(C)[C@]12CC[C@](C)(OO1)C1=C([C@H](C)CC1=O)[C@@H]2O
Compound: negundin B
SMILES: [H][C@]1([C@@H](CO)C(CO)=Cc2cc(OC)c(O)cc12)c1ccc(O)c(OC)c1
Compound: neobavaisoflavone
SMILES: CC(C)=CCc1cc(ccc1O)-c1coc2cc(O)ccc2c1=O
Compound: neopyrrolomycin B
SMILES: Oc1cc(Cl)c(Cl)c(Cl)c1-n1cc(Cl)c(Cl)c1Cl
Compound: nepalensinol D
SMILES: Oc1ccc(cc1)[C@H]1O[C@@H]([C@@H]([C@@H]1c1cc(O)cc(O)c1)c1cc2[C@H]([C@@H](Oc2cc1O)c1ccc(O)cc1)c1cc(O)cc(O)c1)c1ccc(O)cc1
Compound: nepalensinol E
SMILES: Oc1ccc(cc1)[C@H]1O[C@H]([C@@H]([C@@H]1c1cc(O)cc(O)c1)c1cc2[C@H]([C@@H](Oc2cc1O)c1ccc(O)cc1)c1cc2[C@H]([C@@H](Oc2cc1O)c1ccc(O)cc1)c1cc(O)cc(O)c1)c1ccc(O)cc1
Compound: nepalensinol F
SMILES: [H][C@@]12[C@H](Oc3cc(O)cc(c13)[C@]([H])([C@H](c1ccc(O)cc1)c1c(O)cc(O)cc21)[C@@]1([H])[C@H](c2ccc(O)cc2)c2c(O)cc(O)cc2[C@]2([H])[C@H](Oc3cc(O)cc1c23)c1ccc(O)cc1)c1ccc(O)cc1
Compound: nerolidol glycoside
SMILES: [H][C@]1(O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)O[C@H]1[C@H](C)O[C@@]([H])(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)O[C@H]2OC(C)(CC\C=C(\C)CCC=C(C)C)C=C)[C@H](O)[C@@H]1O
Compound: neurolenin A
SMILES: [H][C@@]12C[C@@H](C)\C=C/C(=O)[C@@](C)(O)C[C@@H](OC(=O)CC(C)C)[C@@]1([H])C(=C)C(=O)O2
Compound: neurolenin B
SMILES: [H][C@@]12C[C@@H](C)\C=C/C(=O)[C@@](C)(O)[C@H](OC(C)=O)[C@@H](OC(=O)CC(C)C)[C@@]1([H])C(=C)C(=O)O2
Compound: neurolenin C
SMILES: [H][C@@]12C[C@@H](C)\C=C/C(=O)[C@@](C)(O)[C@H](OC(=O)CC(C)C)[C@@H](O)[C@@]1([H])C(=C)C(=O)O2
Compound: neurolenin D
SMILES: [H][C@@]12C[C@@H](C)\C=C/C(=O)[C@@](C)(O)[C@H](O)[C@@H](OC(=O)CC(C)C)[C@@]1([H])C(=C)C(=O)O2
Compound: NG-061
SMILES: COC1=CC(=O)C=C\C\1=N/NC(=O)Cc1ccccc1
Compound: nidulalin A
SMILES: COC(=O)[C@]12Oc3cc(C)cc(O)c3C(=O)C1=CC=C[C@H]2O
Compound: nigranoic acid
SMILES: [H][C@@]1(CC[C@@]2(C)[C@]3([H])CC[C@@H](C(C)=C)[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C)[C@H](C)CC\C=C(\C)C(O)=O
Compound: niruriside
SMILES: CC(=O)OC[C@H]1O[C@@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)\C=C\c3ccccc3)[C@@H](O)[C@@H]2OC(=O)\C=C\c2ccccc2)[C@H](OC(C)=O)[C@@H](O)[C@@H]1OC(C)=O
Compound: nitensidine E
SMILES: CC(C)=C\C=C\C1(C)CCN=C(N)N1
Compound: NK154183A
SMILES: CCC(O)CC1CCCC2(CC3OC(=O)\C=C\C(C)(O)C(O)C(C)C(O)C(O)C(O)C(C)(O)CCCCC\C=C\C4CC(C)(C)OC4(O)CC(O2)C3C)O1
Compound: NK154183B
SMILES: CCC(O)CC1CCCC2(CC3OC(=O)\C=C\C(C)(O)C(O)C(C)C(O)C(OC4CCC(C(C)O4)N(C)C)C(O)C(C)(O)CCCCC\C=C\C4CC(C)(C)OC4(O)CC(O2)C3C)O1
Compound: NK372135A
SMILES: COc1ccc(CC(C#N)C(\C#N)=C\c2ccc(OC)cc2)cc1
Compound: NK372135B
SMILES: COc1ccc(CC(C#N)C(\C#N)=C\c2ccc(OC)c(OC)c2)cc1
Compound: NK372135C
SMILES: COc1ccc(CC(C#N)C(\C#N)=C\c2ccc(OC)c(O)c2)cc1
Compound: nocardione A
SMILES: C[C@H]1CC2=C(O1)c1cccc(O)c1C(=O)C2=O
Compound: 14-norpseurotin A
SMILES: CO[C@]1(NC(=O)[C@]2(OC([C@@H](O)[C@@H](O)\C=C/C)=C(C)C2=O)[C@H]1O)C(=O)c1ccccc1
Compound: nostocarboline
SMILES: C[n+]1ccc2c(c1)[nH]c1ccc(Cl)cc21