anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCCCCC(O)C(OCCCCC(=O)OC)C(OC)\C=C\C#CC#CC(O)C=C CCCCCC(O)C(OCCCCC(=O)OC)C(OC)\C=C\C#CC#CC(O)C=C is an acetylenic compound that is (8E)-heptadeca-1,8-diene-4,6-diyne substituted by hydroxy group at positions 6 and 15, a methoxy group at position 8 and a (5-methoxy-5-oxopentyl)oxy group at position 7. Isolated from Centella asiatica, it exhibits antineoplastic activity. It has the role of metabolite . It has the role of antineoplastic agent . It has the role of apoptosis inducer . It is also related to or classified as diol  . It is also related to or classified as methyl ester  . It is also related to or classified as secondary alcohol  .  It is also related to or classified as acetylenic compound  . It is also related to or classified as diether .
The molecule [H][N+]([H])(CCNC[C@]1(C)CCC[C@]2(C)c3ccc(cc3CC[C@@]12[H])C(C)C)C[C@]1(C)CCC[C@]2(C)c3ccc(cc3CC[C@@]12[H])C(C)C [H][N+]([H])(CCNC[C@]1(C)CCC[C@]2(C)c3ccc(cc3CC[C@@]12[H])C(C)C)C[C@]1(C)CCC[C@]2(C)c3ccc(cc3CC[C@@]12[H])C(C)C is hydrabamine(1+). It is a conjugate acid of hydrabamine . It is also related to or classified as ammonium ion derivative .
The molecule CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O is an amino disaccharide comprising a beta-D-mannosyl residue linked (1->4) to an N-acetyl-D-glucosamine residue at the reducing end. It is also related to or classified as amino disaccharide , glucosamine oligosaccharide .
The molecule CC(=CCC/C(=C/CC/C(=C/CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\COP(=O)(O)OP(=O)(O)OC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)NC(=O)C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C is a polyprenyl glycosyl diphosphate having eleven prenyl units and with beta-D-glucosyl-(1->4)-N-acetyl-D-glucosamine as the glycosyl fragment. It is a conjugate acid of a beta-D-glucosyl-(1->4)-N-acetyl-D-glucosaminyl undecaprenyl diphosphate(2-).
The molecule OC(=O)C(F)(F)F.[H][C@@]12CC[C@H](O)[C@H](O)[C@]11CCN2Cc2cc3OCOc3cc12 OC(=O)C(F)(F)F.[H][C@@]12CC[C@H](O)[C@H](O)[C@]11CCN2Cc2cc3OCOc3cc12 is 4a-dehydroxycrinamabine Trifluoroacetic acid. It has the role of metabolite . It is also related to or classified as organic molecular entity .
The molecule C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C(=C3O)O)O)O)O)O is a hexahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 5, 6, 7, 3' and 4' respectively. It has a role as an antioxidant, an antiviral agent and a plant metabolite. It is a member of flavonols and a hexahydroxyflavone. It derives from a quercetin.
The molecule C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)CC4CCOCC4 C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3CC3)C(=O)N(C[C@@H]1OC)C)C)CC4CCOCC4 is N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-8-(4-oxanylmethyl)-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCc1c(O)cc2C[C@@H](CC\C=C\C)OC(=O)c2c1O CCCCc1c(O)cc2C[C@@H](CC\C=C\C)OC(=O)c2c1O is an isochromane that is 3,4-dihydroisocoumarin with a butyl substituent at position 7, hydroxy substituents at positions 6 and 8 and a 3E-pent-3-en-1-yl group at position 3. It is isolated from an endophytic fungus, Geotrichum. It has the role of metabolite . It has the role of antitubercular agent . It has the role of antifungal agent . It has the role of antimalarial . Its functional parent is 3,4-dihydroisocoumarin . It is also related to or classified as phenols  . It is also related to or classified as isochromanes .
The molecule Cc1cc(=O)oc2c3CCCN4CCCc(cc12)c34 Cc1cc(=O)oc2c3CCCN4CCCc(cc12)c34 is coumarin 480. It has the role of fluorochrome . It is also related to or classified as 7-aminocoumarins .
The molecule CCCCCCCCCCCCCCC is a straight-chain alkane with 15 carbon atoms. It is a component of volatile oils isolated from plants species like Scandix balansae. It has a role as an animal metabolite, a plant metabolite and a volatile oil component.
The molecule CC(=C)[C@H]1CC[C@](OC(=O)C1)(C)O is a (4S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one that has R configuration at position 7. It derives from a (1R,4S)-1-hydroxylimonen-2-one. It is an enantiomer of a (4R,7S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one.
The molecule OC(=O)C(F)(F)F.[H][C@]12C[C@@H](O)C=C[C@@]11CCN2Cc2cc(O)c(OC)cc12 OC(=O)C(F)(F)F.[H][C@]12C[C@@H](O)C=C[C@@]11CCN2Cc2cc(O)c(OC)cc12 is (4aS,5R,10bR)-(+)-siculine Trifluoroacetic acid. It has the role of metabolite . It is also related to or classified as organic molecular entity .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)NC(=O)C)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O is a branched amino nonasaccharide comprised of a hexasaccharide chain of beta-D-galactose, N-acetyl-beta-D-glucosamine, alpha-D-mannose, beta-D-mannose, and two N-acetyl-beta-D-glucosamine residues linked sequentially (1->4), (1->2), (1->3), (1->4) and (1->4), to the beta-D-mannose residue of which is (1->6)-linked a beta-D-galactosyl-(1->4)]-N-acetyl-beta-D-glucosaminyl-(1->3)-alpha-D-mannosyl trisaccharide branch. It has a role as an epitope. It is an amino nonasaccharide and a glucosamine oligosaccharide.
The molecule CC(C)=CCOc1c(CC=C(C)C)c(=O)[nH]c2ccccc12 CC(C)=CCOc1c(CC=C(C)C)c(=O)[nH]c2ccccc12 is 3-(3-methylbut-2-enyl)-4-(3-methylbut-2-enyloxy)quinolin-2(1H)-one (Structural isomer of Buchapine). It has the role of metabolite . It is also related to or classified as quinolines .
The molecule COC1=C(C=CC(=C1)[C@@H]([C@H]2CO[C@@H]([C@H]2CO)C3=CC(=C(C=C3)O)O)O)O is a lignan that consists of tetrahydrofuran substituted by a 3,4-dihydroxyphenyl group at position 2, a hydroxymethyl group at position 3 and a hydroxy(4-hydroxy-3-methoxyphenyl)methyl group at position 4. It has been isolated from Taxus yunnanensis. It has a role as a plant metabolite. It is a lignan, a polyphenol, a member of oxolanes and a member of guaiacols.
The molecule C(CC(=O)[O-])C(=O)[O-] is a dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxy groups of succinic acid. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a C4-dicarboxylate, a dicarboxylic acid dianion and a succinate. It is a conjugate base of a succinate(1-).
The molecule OC(=O)C(F)(F)F.[H][C@]12C[C@H](O)CC[C@@]11CCN2Cc2cc(O)c(OC)cc12 OC(=O)C(F)(F)F.[H][C@]12C[C@H](O)CC[C@@]11CCN2Cc2cc(O)c(OC)cc12 is maritinamine Trifluoroacetic acid. It has the role of metabolite . It is also related to or classified as organic molecular entity .
The molecule CCN(CC)c1ccc2c(cc(=O)oc2c1)C(F)(F)F CCN(CC)c1ccc2c(cc(=O)oc2c1)C(F)(F)F is coumarin 481. It has the role of fluorochrome . It is also related to or classified as 7-aminocoumarins .
The molecule C[C@]1(CCC[C@]2([C@H]1CC[C@@]3([C@@H]2C[C@H]([C@]4([C@H]3CCC5=C4C(=O)OC5)C)O)C)C)CO is a scalarane sesterterpenoid isolated from the marine sponge Hyrtios erectus and has been shown to exhibit antineoplastic activity. It has a role as a metabolite and an antineoplastic agent. It is a gamma-lactone, an organic heteropentacyclic compound, a primary alcohol, a scalarane sesterterpenoid, a secondary alcohol and a terpene lactone.
The molecule CC(C)=CCC1(C(=O)Nc2ccccc2C1=O)C(C)(C)C=C CC(C)=CCC1(C(=O)Nc2ccccc2C1=O)C(C)(C)C=C is Buchapine. It has the role of metabolite . It is also related to or classified as quinolines .
The molecule [H+].CCN(CC)CCOC(=O)c1ccc(N)cc1 [H+].CCN(CC)CCOC(=O)c1ccc(N)cc1 is an organic cation that is the monoprotonated form of procaine. It is a conjugate acid of procaine . It is also related to or classified as organic cation .
The molecule C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3CC3 C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3CC3 is N-[(4S,7S,8R)-5-[cyclopropyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC([C@H]([C@@H]5O)O)(C)C)CO)O)C)C)(C)C)O is a pentacyclic triterpenoid that is olean-12-ene substituted by hydroxy groups at positions 3, 16, 21, 22 and 28 (the 3beta,16alpha,21beta,22alpha stereoisomer). It has a role as a plant metabolite. It is a pentacyclic triterpenoid, a pentol and a sapogenin. It derives from a hydride of an oleanane.
The molecule OC(=O)C(F)(F)F.[H][C@]12C[C@H](O)C=C[C@@]11CCN2Cc2cc(O)c(OC)cc12 OC(=O)C(F)(F)F.[H][C@]12C[C@H](O)C=C[C@@]11CCN2Cc2cc(O)c(OC)cc12 is (+)-8-O-demethylmaritidine Trifluoroacetic acid. It has the role of metabolite . It is also related to or classified as organic molecular entity .
The molecule CCC(C)CCCCCCCCCCCCCCCO is a long-chain primary fatty alcohol that is octadecan-1-ol (stearyl alcohol) substituted by a methyl group at position 16. It derives from an octadecan-1-ol.
The molecule [K+].[K+].[H]C(C=C([H])C1=[N+](CCCCS([O-])(=O)=O)c2ccc(cc2C1(C)C)S([O-])(=O)=O)=CC([H])=C1N(CCCCS([O-])(=O)=O)c2ccc(cc2C1(C)C)C(O)=O [K+].[K+].[H]C(C=C([H])C1=[N+](CCCCS([O-])(=O)=O)c2ccc(cc2C1(C)C)S([O-])(=O)=O)=CC([H])=C1N(CCCCS([O-])(=O)=O)c2ccc(cc2C1(C)C)C(O)=O is NIR-4 dye. It has the role of fluorochrome . It is also related to or classified as cyanine dye , organic potassium salt .
The molecule CCC1=C(C)C2=[N+]3C1=Cc1c(C)c4C(=O)[C@H](C(=O)OC)C5=C6C(CCC(O)=O)=C(C)C7=[N+]6[Mg--]3(n1c45)n1c(=C7)c(C)c(C=C)c1=C2 CCC1=C(C)C2=[N+]3C1=Cc1c(C)c4C(=O)[C@H](C(=O)OC)C5=C6C(CCC(O)=O)=C(C)C7=[N+]6[Mg--]3(n1c45)n1c(=C7)c(C)c(C=C)c1=C2 is an analogue of chlorophyll that lacks the phytol side-chain. The parent of the protochlorophyllide class. It has the role of biological pigment . It is a conjugate acid of protochlorophyllide(1-) . It is also related to or classified as protochlorophyllides .
The molecule [H][C@]12C[C@@]3([H])[C@]4([H])CCC5C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@](CCC(C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)(OC)O2)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O [H][C@]12C[C@@]3([H])[C@]4([H])CCC5C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@](CCC(C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)(OC)O2)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O is A steroid saponin that consists of (3beta,22R)-22-methoxyfurostan-3,26-diol attached to a beta-D-glucopyranosyl residue at position 26 and a beta-D-glucopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl residue at position 3 via a glycosidic linkage. Isolated from Brunfelsia grandiflora, it exhibits antileishmanial activity. It has the role of metabolite . It has the role of antileishmanial agent . It is also related to or classified as steroid saponin .
The molecule C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3CCOCC3 C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3CCOCC3 is N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-5-[4-oxanyl(oxo)methyl]-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC(=C(C=C1C(C(=O)[O-])O)O)O is a hydroxy monocarboxylic acid anion that is the conjugate base of 3,4-dihydroxymandelic acid. It has a role as a human metabolite. It is a conjugate base of a 3,4-dihydroxymandelic acid.
The molecule Cc1cc2O[C@@]3(C)[C@@H](O)C=CC(O)=C3C(=O)c2c(O)c1-c1c(C)cc2O[C@@]3(C)C(=O)C=CC(O)=C3C(=O)c2c1O Cc1cc2O[C@@]3(C)[C@@H](O)C=CC(O)=C3C(=O)c2c(O)c1-c1c(C)cc2O[C@@]3(C)C(=O)C=CC(O)=C3C(=O)c2c1O is A  biaryl that is 5',10a'-dihydro-9H,9'H-2,2'-bixanthene-5,9,9'(10aH)-trione substituted by hydroxy groups at positions 1, 1', 5', 8 and 8' and methyl groups at positions 3, 3', 10a and 10a'. Isolated from the cultures of a Hawaiian isolate of the fungus Phoma species, it exhibits antibacterial and antifungal activities. It has the role of antibacterial agent . It has the role of fungal metabolite . It is also related to or classified as polyketide  . It is also related to or classified as polyphenol , xanthones , biaryl .
The molecule C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=CC=NC=C3 C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)C3=CC=NC=C3 is N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(pyridin-4-yl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule Cl[Zn-2](Cl)(Cl)Cl is a divalent inorganic anion composed of four chlorine atoms bound to a central zinc atom. It is a divalent inorganic anion and a zinc coordination entity.
The molecule CCC(=O)O[C@@H]1[C@@H]2[C@@]34CO[C@]2([C@@H](O)[C@H](O)[C@@H]3[C@@]2(C)CC(=O)C(OC(=O)CC)=C(C)[C@@H]2C[C@H]4OC1=O)C(=O)OC CCC(=O)O[C@@H]1[C@@H]2[C@@]34CO[C@]2([C@@H](O)[C@H](O)[C@@H]3[C@@]2(C)CC(=O)C(OC(=O)CC)=C(C)[C@@H]2C[C@H]4OC1=O)C(=O)OC is A quassinoid that is the 3,15-di-O-propionyl derivative of bruceolide. It has been isolated from  Brucea javanica and Brucea sumatrana. It has the role of plant metabolite . Its functional parent is bruceolide . It is also related to or classified as delta-lactone  . It is also related to or classified as diol  . It is also related to or classified as methyl ester  . It is also related to or classified as enol  . It is also related to or classified as propanoate ester  .   It is also related to or classified as enone  . It is also related to or classified as cyclic ether , organic heteropentacyclic compound , quassinoid .
The molecule C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O is a dTDP-sugar having 3-amino-3,6-dideoxy-alpha-D-galactopyranose (3-amino-3-deoxy-alpha-D-fucopyranose) as the sugar component. It derives from a 3-amino-3,6-dideoxy-alpha-D-galactopyranose. It is a conjugate acid of a dTDP-3-amino-3,6-dideoxy-alpha-D-galactopyranose(1-).
The molecule C([C@@H]1[C@@H]([C@@H](C(O1)(CO)O)O)O)OP(=O)([O-])[O-] is an organophosphate oxoanion that is the dianion of D-tagatofuranose 6-phosphate. It has a role as a human metabolite. It is a conjugate base of a D-tagatofuranose 6-phosphate.
The molecule Cc1cc(O)c(C(=O)c2c(O)ccc(O)c2C)c(O)c1-c1c(C)cc(O)c(C(=O)c2c(O)ccc(O)c2C)c1O Cc1cc(O)c(C(=O)c2c(O)ccc(O)c2C)c(O)c1-c1c(C)cc(O)c(C(=O)c2c(O)ccc(O)c2C)c1O is A member of the class of biphenyls that is 6,6'-dimethylbiphenyl-2,2',4,4'-tetrol which has been substituted by 3,6-dihydroxy-2-methylbenzoyl groups at positions 3 and 3'. Isolated from the cultures of a Hawaiian isolate of the fungus Phoma species, it exhibits antibacterial and antifungal activities. It has the role of antibacterial agent . It has the role of antifungal agent . It has the role of fungal metabolite .  It is also related to or classified as polyketide  . It is also related to or classified as biphenyls , polyphenol .
The molecule CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN([C@H](CO2)C)CC3=CC=NC=C3)C)OC)C CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN([C@H](CO2)C)CC3=CC=NC=C3)C)OC)C is N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-4-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@@]12CC[C@@]3([C@H]4CC[C@]5([C@H]([C@@]4(CC[C@]3([C@@H]1CC(CC2)(C)C)C)C)CC[C@@H]([C@@H]5CC(=O)O)O)C)C is a pentacyclic triterpenoid isolated from the leaves of Garcia parviflora. It is a pentacyclic triterpenoid and a hydroxy monocarboxylic acid. It derives from a friedelin.
The molecule C[C@H]1CN[C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3Cl)C(=O)N(C[C@H]1OC)C)C C[C@H]1CN[C@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3Cl)C(=O)N(C[C@H]1OC)C)C is 2-chloro-N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule COC(=O)[C@@]12OC[C@@]34[C@H]1[C@@H](OC(C)=O)C(=O)O[C@@H]3C[C@H]1C(C)=C(OC(C)=O)C(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O COC(=O)[C@@]12OC[C@@]34[C@H]1[C@@H](OC(C)=O)C(=O)O[C@@H]3C[C@H]1C(C)=C(OC(C)=O)C(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O is A  quassinoid that is the 3,15-di-O-acetyl derivative of bruceolide. It has been isolated from  Brucea javanica and Brucea sumatrana. It has the role of antimalarial . It has the role of plant metabolite . Its functional parent is bruceolide . It is also related to or classified as delta-lactone  . It is also related to or classified as diol  . It is also related to or classified as methyl ester  . It is also related to or classified as enol  .   It is also related to or classified as acetate ester  . It is also related to or classified as enone  . It is also related to or classified as cyclic ether , organic heteropentacyclic compound , quassinoid .
The molecule CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@H](CO1)N)O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C is a polyprenyl glycosyl phosphate. It derives from a 4-amino-4-deoxy-alpha-L-arabinopyranose and an all-trans-undecaprenol. It is a tautomer of a 4-azaniumyl-4-deoxy-alpha-L-arabinopyranosyl undecaprenyl phosphate.
The molecule Cc1cc2O[C@@]3(C)[C@@H](O)C=CC(O)=C3C(=O)c2c(O)c1-c1c(C)cc2O[C@@]3(C)[C@@H](O)C=CC(O)=C3C(=O)c2c1O Cc1cc2O[C@@]3(C)[C@@H](O)C=CC(O)=C3C(=O)c2c(O)c1-c1c(C)cc2O[C@@]3(C)[C@@H](O)C=CC(O)=C3C(=O)c2c1O is A biaryl that is 5,5',10a,10a'-tetrahydro-9H,9'H-2,2'-bixanthene-9,9'-dione substituted by hydroxy groups at positions 1, 1', 5, 5', 8 and 8' and methyl groups at positions 3, 3', 10a and 10a'. Isolated from the cultures of a Hawaiian isolate of the fungus Phoma species, it exhibits antibacterial activity. It has the role of antibacterial agent . It has the role of fungal metabolite . It is also related to or classified as polyketide  . It is also related to or classified as polyphenol , xanthones , biaryl .
The molecule NCC[C@@H](O)CNCCCC[C@H](N)C([O-])=O NCC[C@@H](O)CNCCCC[C@H](N)C([O-])=O is A L-alpha-amino acid anion obtained by the deprotonation of the carboxy group of hypusine. It is also related to or classified as L-alpha-amino acid anion  .
The molecule CCCNS(=O)(=O)NC1=C(C(=NC=N1)OCCOC2=NC=C(C=N2)Br)C3=CC=C(C=C3)Br is a member of the class of sulfamides in which the two amino groups of sulfonamide are substituted by 5-(4-bromophenyl)-6-{2-[(5-bromopyrimidin-2-yl)oxy]ethoxy}pyrimidin-4-yl and propyl groups. An orphan drug used for the treatment of pulmonary arterial hypertension. It has a role as an endothelin receptor antagonist, an antihypertensive agent and an orphan drug. It is an organobromine compound, a member of pyrimidines, an aromatic ether, a ring assembly and a member of sulfamides. It derives from an ethylene glycol and an ACT-132577.
The molecule CCC(=O)O[C@@H]1[C@@H]2[C@@]34CO[C@]2([C@@H](O)[C@H](O)[C@@H]3[C@@]2(C)CC(=O)C(O)=C(C)[C@@H]2C[C@H]4OC1=O)C(=O)OC CCC(=O)O[C@@H]1[C@@H]2[C@@]34CO[C@]2([C@@H](O)[C@H](O)[C@@H]3[C@@]2(C)CC(=O)C(O)=C(C)[C@@H]2C[C@H]4OC1=O)C(=O)OC is A quassinoid that is the 15-O-propionyl derivative of bruceolide. It has been isolated from  Brucea javanica and Brucea sumatrana. It has the role of plant metabolite . Its functional parent is bruceolide . It is also related to or classified as delta-lactone  . It is also related to or classified as methyl ester  .  It is also related to or classified as enol  . It is also related to or classified as propanoate ester  .   It is also related to or classified as enone  . It is also related to or classified as triol , cyclic ether , organic heteropentacyclic compound , quassinoid .
The molecule C1=CC(=CC=C1/C=C/C(=O)NCCCCNCCCNC(=O)/C=C/C2=CC=C(C=C2)O)O is a secondary amino compound that is spermidine in which each of the primary amino groups has been mono-acylated by formal condensation with trans-coumaric acid. It has a role as a plant metabolite. It is an enamide, a polyphenol, a secondary amino compound and a secondary carboxamide. It derives from a spermidine and a trans-4-coumaric acid. It is a conjugate base of a N(1),N(8)-bis(coumaroyl)spermidine(1+).
The molecule C(CC(=O)O)C[C@@](CC(=O)O)(C(=O)O)O is a chiral tricarboxylic acid in which a central carbon carries hydroxy, carboxy, carboxymethyl and 3-carboxypropyl substituents with R-configuration at the chiral centre. It is a tricarboxylic acid and a tertiary alcohol. It is a conjugate acid of a (2R)-dihomocitrate(3-).
The molecule OC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1c[nH]c2cc(Br)ccc12 OC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1c[nH]c2cc(Br)ccc12 is A N-acylamino acid that is L-histidine acylated at the nitrogen atom of the amino group by a (6-bromo-1H-indol-3-yl)acetyl residue. Isolated from the venom of the sea anemone Bunodosoma cangicum, it exhibits analgesic activity. It has the role of analgesic . It has the role of marine metabolite .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as organobromine compound  . It is also related to or classified as indoles , L-histidine derivative .
The molecule CC(C1=CC(=C(C(=C1)OC)O)OC)O is a member of the class of benzyl alcohols that is ethanol substituted by a phenyl group at position 1 which in turn is substituted by methoxy groups at positions 3 and 5 and a hydroxy group at position 4 respectively. It is a member of phenols, a dimethoxybenzene and a member of benzyl alcohols.
The molecule CCNc1cc2[o+]c3c4CCCN5CCCc(cc3nc2c2ccccc12)c45 CCNc1cc2[o+]c3c4CCCN5CCCc(cc3nc2c2ccccc12)c45 is oxazine-750. It has the role of fluorochrome . It is also related to or classified as organic cation , organic heterohexacyclic compound .
The molecule C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3=CC=CC=N3 C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3=CC=CC=N3 is N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyridinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule COC(=O)[C@@]12OC[C@@]34[C@H]1[C@@H](OC(C)=O)C(=O)O[C@@H]3C[C@H]1C(C)=C(O)C(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O COC(=O)[C@@]12OC[C@@]34[C@H]1[C@@H](OC(C)=O)C(=O)O[C@@H]3C[C@H]1C(C)=C(O)C(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O is A  quassinoid that is the 15-O-acetyl derivative of bruceolide. It has been isolated from Brucea javanica and Brucea sumatrana. It has the role of antifeedant . It has the role of plant metabolite . Its functional parent is bruceolide . It is also related to or classified as delta-lactone  . It is also related to or classified as methyl ester  .  It is also related to or classified as enol  .   It is also related to or classified as acetate ester  . It is also related to or classified as enone  . It is also related to or classified as triol , cyclic ether , organic heteropentacyclic compound , quassinoid .
The molecule C1=CC=C2C(=C1)NC(=N2)C3=CC=CO3 is a ring assembly consisting of benzimidazole substituted at position 2 by a 2-furyl group. A fungicide used as a seed treatment to control Fusarium spp. in cereals. It has a role as an antifungal agrochemical. It is a member of benzimidazoles, a member of furans and a benzimidazole fungicide.