anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC1=CC(=C2C3=C1OCC(C3OC4=C(C2=O)C(=C(C=C4)CC=C(C)C)O)C(C)(C)O)O is an organic heterotetracyclic compound that is 1,12a-dihydrochromeno[4,5-bc][1]benzoxepin-7(2H)-one substituted by a hydroxy group at position 8, a 2-hydroxypropan-2-yl group at position 1, a methyl group at position 4 and a prenyl group at position 9. Isolated from Aspergillus, it exhibits inhibitory activity against hepatitis C protease. It has a role as a hepatitis C protease inhibitor and an Aspergillus metabolite. It is an organic heterotetracyclic compound, a cyclic ketone, a polyphenol, a cyclic ether and a tertiary alcohol.
The molecule C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@H](OP(O)(=O)OP(O)(=O)OC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(/C)CCC=C(C)C)[C@@H]2NC(C)=O)[C@H](O)[C@H](O)[C@H]1O C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@H](OP(O)(=O)OP(O)(=O)OC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(/C)CCC=C(C)C)[C@@H]2NC(C)=O)[C@H](O)[C@H](O)[C@H]1O is A polyprenyl glycosyl phosphate consisting of alpha-L-rhamnosyl-(1->3)-N-acetyl-alpha-D-glucosamine attached at the 1-position to trans,octacis-decaprenyl phosphate. It is a conjugate acid of alpha-L-Rhap-(1->3)-alpha-D-GlcpNAc-1-diphospho-trans,octacis-decaprenol(2-) . It is also related to or classified as polyprenyl glycosyl phosphate .
The molecule [H][C@@]1(O[C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)[C@@H](C)O[C@H](C[C@H]1O)Oc1ccc(O)c2C(=O)C3=C([C@H](O)Cc4cc(C)cc(O)c34)C(=O)c12 [H][C@@]1(O[C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)[C@@H](C)O[C@H](C[C@H]1O)Oc1ccc(O)c2C(=O)C3=C([C@H](O)Cc4cc(C)cc(O)c34)C(=O)c12 is Landomycin D. It has the role of metabolite . It is also related to or classified as anthraquinone .
The molecule C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)O)O)O)O)O is a glycosyloxyflavone that is luteolin substituted by a 6-O-malonyl-beta-D-glucopyranosyl moiety at position 7 via glycosidic linkage. It is a beta-D-glucoside, a glycosyloxyflavone, a malonate ester and a trihydroxyflavone. It derives from a luteolin.
The molecule C1[C@@]2(C=3CC[C@@]4([C@](C3CC[C@]2(C([C@H](C1)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)(C)C)[H])(C)CC[C@@]([C@H]4C([O-])=O)([C@@H](C(C)C)C)C)C)C C1[C@@]2(C=3CC[C@@]4([C@](C3CC[C@]2(C([C@H](C1)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)(C)C)[H])(C)CC[C@@]([C@H]4C([O-])=O)([C@@H](C(C)C)C)C)C)C is major microspecies at pH 7.3. It is also related to or classified as glycoside  . It is also related to or classified as carboxylic acid anion  . It is also related to or classified as triterpenoid  .
The molecule CCCCC[C@@H](O)[C@@H](O)[C@@H]1C=CC[C@H]2CC(=O)NCCCCNCCCN12 CCCCC[C@@H](O)[C@@H](O)[C@@H]1C=CC[C@H]2CC(=O)NCCCCNCCCN12 is Cannabisativine. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(=O)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C CC(=O)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C is A terpene ketone in which an (E,E)-farnesyl group is bonded to one of the alpha-methyls of acetone. It has the role of hormone . It has the role of metabolite . It is also related to or classified as terpene ketone .
The molecule Cc1cc(O)c2c(C[C@@H](O)C3=C2C(=O)c2c(O)ccc(O)c2C3=O)c1 Cc1cc(O)c2c(C[C@@H](O)C3=C2C(=O)c2c(O)ccc(O)c2C3=O)c1 is Landomycinone. It has the role of metabolite . It is also related to or classified as anthraquinone .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)CO)O[C@@H]4[C@H]([C@H](O[C@@H]([C@@H]4O)CO)O)NC(=O)C)NC(=O)C)O)O)O is an amino tetrasaccharide that is 2-acetamido-3-O-(2-acetamido-beta-D-glucopyranosyl)-2-deoxy-alpha-D-galactopyranose in which the 2-acetamido-beta-D-glucopyranosyl moiety has been glycosylated at positions 3 and 4 by alpha-L-fucosyl and beta-D-galactopyranosyl groups, respectively. It is an amino tetrasaccharide and a member of acetamides. It derives from a beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-alpha-D-GalpNAc and an alpha-L-Fucp-(1->3)-[beta-D-Galp-(1->4)]-beta-D-GlcpNAc.
The molecule C\C=C\C(=O)C1=C(C)C=CCC1(C)C C\C=C\C(=O)C1=C(C)C=CCC1(C)C is A cyclic monoterpene ketone that is 2,6,6-trimethylcyclohexa-1,3-diene substituted at position 1 by a crotonoyl group. It has the role of volatile oil component . It has the role of fragrance . It has the role of plant metabolite .   It is also related to or classified as enone  . It is also related to or classified as cyclic monoterpene ketone , apo carotenoid monoterpenoid .
The molecule [H][C@@]1(C[C@@H](O)[C@H](O[C@@]2([H])C[C@@]([H])(O[C@H]3CC[C@H](O)[C@H](C)O3)[C@H](O)[C@@H](C)O2)[C@@H](C)O1)O[C@H]1CC[C@@H](O[C@H]1C)O[C@]1([H])C[C@@H](O[C@H](C)[C@H]1O)O[C@@]1([H])[C@H](O)C[C@@H](O[C@@H]1C)Oc1ccc(O)c2C(=O)c3c(ccc4cc(C)cc(O)c34)C(=O)c12 [H][C@@]1(C[C@@H](O)[C@H](O[C@@]2([H])C[C@@]([H])(O[C@H]3CC[C@H](O)[C@H](C)O3)[C@H](O)[C@@H](C)O2)[C@@H](C)O1)O[C@H]1CC[C@@H](O[C@H]1C)O[C@]1([H])C[C@@H](O[C@H](C)[C@H]1O)O[C@@]1([H])[C@H](O)C[C@@H](O[C@@H]1C)Oc1ccc(O)c2C(=O)c3c(ccc4cc(C)cc(O)c34)C(=O)c12 is Landomycin U. It has the role of metabolite . It is also related to or classified as oligosaccharide  .
The molecule CC(=CCC/C(=C/CC1=C(C=CC(=C1O)O)[C@@H]2CC(=O)C3=C(O2)C=C(C(=C3O)CC(C(=C)C)O)O)/C)C is a tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5,7, 3' and 4', a geranyl group at position 2' and a 2-hydroxy-3-methylbut-3-en-1yl group at position 6. Isolated from Macaranga tanarius, it exhibits radical scavenging activity. It has a role as a metabolite and a radical scavenger. It is a tetrahydroxyflavanone, a secondary alcohol and a member of 4'-hydroxyflavanones.
The molecule CC(CO)(c1ccc(O)cc1)c1ccc(O)cc1 CC(CO)(c1ccc(O)cc1)c1ccc(O)cc1 is 2,2-bis(4-hydroxyphenyl)propan-1-ol.  It is also related to or classified as propan-1-ols  . It is also related to or classified as bisphenol .
The molecule C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC=CC=C3C=NNC(=O)C4=CC(=CC=C4)F C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC=CC=C3C=NNC(=O)C4=CC(=CC=C4)F is 1,3-benzodioxole-5-carboxylic acid [2-[[[(3-fluorophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule CC(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O CC(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O is A dipeptide that is the N-acetyl derivative of carnosine. It has the role of metabolite . Its functional parent is carnosine . It is also related to or classified as dipeptide  .
The molecule [H][C@@]1(C[C@@H](O)[C@H](O[C@@]2([H])C[C@@]([H])(O[C@H]3CC[C@H](O)[C@H](C)O3)[C@H](O)[C@@H](C)O2)[C@@H](C)O1)O[C@H]1CC[C@@H](O[C@H]1C)O[C@]1([H])C[C@@H](O[C@H](C)[C@H]1O)O[C@@]1([H])[C@H](O)C[C@@H](O[C@@H]1C)Oc1cccc2C(=O)c3c(ccc4cc(C)cc(O)c34)C(=O)c12 [H][C@@]1(C[C@@H](O)[C@H](O[C@@]2([H])C[C@@]([H])(O[C@H]3CC[C@H](O)[C@H](C)O3)[C@H](O)[C@@H](C)O2)[C@@H](C)O1)O[C@H]1CC[C@@H](O[C@H]1C)O[C@]1([H])C[C@@H](O[C@H](C)[C@H]1O)O[C@@]1([H])[C@H](O)C[C@@H](O[C@@H]1C)Oc1cccc2C(=O)c3c(ccc4cc(C)cc(O)c34)C(=O)c12 is Landomycin T. It has the role of metabolite . It is also related to or classified as oligosaccharide  .
The molecule CC1=C(OC(=O)C(=C1OC)OC)CCCCCCCCCCSC(=O)C is a member of the class of 2-pyranones that is 2H-pyran-2-one substituted by methoxy groups at positions 3 and 4, a methyl group at position 5 and a 10-(acetylsulfanyl)decyl group at position 6. Isolated from the marine sponge of the genus Plakortis, it exhibits cytotoxicity against human promyeloid leukemic HL-60 cells. It has a role as an antineoplastic agent and an animal metabolite. It is a member of 2-pyranones, an ether, a polyketide and a thioester.
The molecule O([C@H]1[C@@H](O)[C@H](O[C@H](O)[C@@H]1O)CO)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO O([C@H]1[C@@H](O)[C@H](O[C@H](O)[C@@H]1O)CO)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO is A glycosylgalactose consisting of beta-D-glucopyranose and alpha-D-galactopyranose residues joined in sequence by a (1->3) glycosidic bond. Its functional parent is beta-D-glucose . Its functional parent is alpha-D-galactose . It is also related to or classified as glycosylgalactose .
The molecule OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 is A organochlorine compound that is  4,4'-dichlorodiphenylmethane in which one of the methylene hydrogens is replaced by a hydroxymethyl group. It has the role of xenobiotic metabolite . Its functional parent is 4,4'-dichlorodiphenylmethane . It is also related to or classified as primary alcohol  . It is also related to or classified as monochlorobenzenes .
The molecule C[NH2+][C@@H](Cc1c[nH]c2cccc(CC=C(C)C)c12)C([O-])=O C[NH2+][C@@H](Cc1c[nH]c2cccc(CC=C(C)C)c12)C([O-])=O is an amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of 4-(3-methylbut-2-enyl)-L-abrine. It is also related to or classified as amino-acid zwitterion .
The molecule [H][C@@]1(CC[C@@H](O[C@H]1C)O[C@]1([H])C[C@@H](O[C@H](C)[C@H]1O)O[C@@]1([H])[C@H](O)C[C@@H](O[C@@H]1C)Oc1cccc2C(=O)c3c(ccc4cc(C)cc(O)c34)C(=O)c12)O[C@H]1C[C@@H](O)[C@]([H])(O[C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)[C@@H](C)O1 [H][C@@]1(CC[C@@H](O[C@H]1C)O[C@]1([H])C[C@@H](O[C@H](C)[C@H]1O)O[C@@]1([H])[C@H](O)C[C@@H](O[C@@H]1C)Oc1cccc2C(=O)c3c(ccc4cc(C)cc(O)c34)C(=O)c12)O[C@H]1C[C@@H](O)[C@]([H])(O[C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)[C@@H](C)O1 is Landomycin M. It has the role of metabolite . It is also related to or classified as oligosaccharide  .
The molecule C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Br is an organobromine compound that is bromobenzene substituted at C-2 and -4 with nitro groups. It is an organobromine compound and a C-nitro compound.
The molecule C1=CC(=CC=C1C=C(C#N)C(=O)NCCCN2C=CN=C2)[N+](=O)[O-] C1=CC(=CC=C1C=C(C#N)C(=O)NCCCN2C=CN=C2)[N+](=O)[O-] is 2-cyano-N-[3-(1-imidazolyl)propyl]-3-(4-nitrophenyl)-2-propenamide. It is also related to or classified as secondary carboxamide  . It is also related to or classified as cinnamamides .
The molecule COc1cc(C[C@H]2CO[C@@H]([C@H]2CO)c2ccc(O)c(OC)c2)ccc1O COc1cc(C[C@H]2CO[C@@H]([C@H]2CO)c2ccc(O)c(OC)c2)ccc1O is A lignan that is tetrahydrofuran substituted at positions 2, 3 and 4 by 4-hydroxy-3-methoxyphenyl, hydroxymethyl and 4-hydroxy-3-methoxybenzyl groups respectively (the 2S,3R,4R-diastereomer). It has the role of antifungal agent . It has the role of plant metabolite . It is also related to or classified as primary alcohol  . It is also related to or classified as lignan  .  It is also related to or classified as phenols  . It is also related to or classified as oxolanes , aromatic ether .
The molecule [H][C@@]1(CC[C@@H](O[C@H]1C)O[C@]1([H])C[C@@H](O[C@H](C)[C@H]1O)O[C@@]1([H])[C@H](O)C[C@@H](O[C@@H]1C)Oc1ccc(O)c2C(=O)c3c(ccc4cc(C)cc(O)c34)C(=O)c12)O[C@H]1C[C@@H](O)[C@]([H])(O[C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)[C@@H](C)O1 [H][C@@]1(CC[C@@H](O[C@H]1C)O[C@]1([H])C[C@@H](O[C@H](C)[C@H]1O)O[C@@]1([H])[C@H](O)C[C@@H](O[C@@H]1C)Oc1ccc(O)c2C(=O)c3c(ccc4cc(C)cc(O)c34)C(=O)c12)O[C@H]1C[C@@H](O)[C@]([H])(O[C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)[C@@H](C)O1 is Landomycin W. It has the role of metabolite . It is also related to or classified as oligosaccharide  .
The molecule CC(=O)[C@@H](C(=O)[O-])[NH3+] is an L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-2-amino-3-oxobutanoic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate acid of a L-2-amino-3-oxobutanoate. It is a tautomer of a L-2-amino-3-oxobutanoic acid.
The molecule CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)C(=S)NC(=O)C4=CC=C(C=C4)Br CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)C(=S)NC(=O)C4=CC=C(C=C4)Br is 4-bromo-N-[(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-sulfanylidenemethyl]benzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule COc1cc(C[C@@H]2CO[C@H]([C@@H]2CO)c2ccc(O)c(OC)c2)ccc1O COc1cc(C[C@@H]2CO[C@H]([C@@H]2CO)c2ccc(O)c(OC)c2)ccc1O is A lignan that is tetrahydrofuran substituted at positions 2, 3 and 4 by 4-hydroxy-3-methoxyphenyl, hydroxymethyl and 4-hydroxy-3-methoxybenzyl groups respectively (the 2R,3S,4S-diastereomer). It is also related to or classified as lignan  .  It is also related to or classified as phenols  . It is also related to or classified as oxolanes .
The molecule [H][C@]1(C[C@@H](O[C@H](C)[C@H]1O)O[C@@]1([H])[C@H](O)C[C@@H](O[C@@H]1C)Oc1ccc(O)c2C(=O)c3c(ccc4cc(C)cc(O)c34)C(=O)c12)O[C@H]1CC[C@H](O)[C@H](C)O1 [H][C@]1(C[C@@H](O[C@H](C)[C@H]1O)O[C@@]1([H])[C@H](O)C[C@@H](O[C@@H]1C)Oc1ccc(O)c2C(=O)c3c(ccc4cc(C)cc(O)c34)C(=O)c12)O[C@H]1CC[C@H](O)[C@H](C)O1 is Landomycin Q. It has the role of metabolite . It is also related to or classified as oligosaccharide  .
The molecule C1CC(=O)NC1C(=O)[O-] is the conjugate base of 5-oxoproline. It has a role as a human metabolite. It is a conjugate base of a 5-oxoproline.
The molecule CN(C)c1ccc(cc1)\N=N\c1ccccc1C(O)=O CN(C)c1ccc(cc1)\N=N\c1ccccc1C(O)=O is an azo dye consisting of benzoic acid substituted at position 2 by a 4-[(dimethylamino)phenyl]diazenyl group. It has the role of dye . It is a conjugate acid of methyl red(1-) . It is also related to or classified as azobenzenes  . It is also related to or classified as monocarboxylic acid , tertiary amino compound .
The molecule C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]2COC(=O)CC(O)=O)O[C@@](C)(CC\C=C(/C)CC\C=C(/C)CC\C=C(\C)CO[C@@H]2O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]2O)C=C)[C@H](O)[C@H](O)[C@H]1O C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]2COC(=O)CC(O)=O)O[C@@](C)(CC\C=C(/C)CC\C=C(/C)CC\C=C(\C)CO[C@@H]2O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]2O)C=C)[C@H](O)[C@H](O)[C@H]1O is an acyclic diterpene glycoside consisting of a 20-hydroxygeranyllinalool skeleton conjugated to a malonylglucosyl residue at C-20 and a rhamnosyl(malonyl)glucosyl moiety at C-3. It has the role of metabolite . Its functional parent is lyciumoside IV . It is also related to or classified as disaccharide derivative , diterpene glycoside .
The molecule [H][C@]1(C[C@@H](O[C@H](C)[C@H]1O)O[C@@]1([H])[C@H](O)C[C@@H](O[C@@H]1C)Oc1cccc2C(=O)c3c(ccc4cc(C)cc(O)c34)C(=O)c12)O[C@H]1CC[C@H](O)[C@H](C)O1 [H][C@]1(C[C@@H](O[C@H](C)[C@H]1O)O[C@@]1([H])[C@H](O)C[C@@H](O[C@@H]1C)Oc1cccc2C(=O)c3c(ccc4cc(C)cc(O)c34)C(=O)c12)O[C@H]1CC[C@H](O)[C@H](C)O1 is Landomycin P. It has the role of metabolite . It is also related to or classified as oligosaccharide  .
The molecule C1=CC=C(C=C1)CS(=O)(=O)F is an acyl fluoride with phenylmethanesulfonyl as the acyl group. It has a role as a serine proteinase inhibitor. It derives from a phenylmethanesulfonic acid.
The molecule C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]2CO)O[C@@](C)(CC\C=C(/C)CC\C=C(/C)CC\C=C(\C)CO[C@@H]2O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]2O)C=C)[C@H](O)[C@H](O)[C@H]1O C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]2CO)O[C@@](C)(CC\C=C(/C)CC\C=C(/C)CC\C=C(\C)CO[C@@H]2O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]2O)C=C)[C@H](O)[C@H](O)[C@H]1O is an acyclic diterpene glycoside consisting of a 20-hydroxygeranyllinalool skeleton conjugated to a malonylglucosyl residue at C-20 and a rhamnosylglucosyl moiety at C-3. It has the role of metabolite . Its functional parent is lyciumoside IV . It is also related to or classified as disaccharide derivative , diterpene glycoside .
The molecule [H][C@@]1(O[C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)[C@@H](C)O[C@H](C[C@H]1O)Oc1cccc2C(=O)c3c(ccc4cc(C)cc(O)c34)C(=O)c12 [H][C@@]1(O[C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)[C@@H](C)O[C@H](C[C@H]1O)Oc1cccc2C(=O)c3c(ccc4cc(C)cc(O)c34)C(=O)c12 is Landomycin O. It has the role of metabolite . It is also related to or classified as angucycline  .
The molecule CC1=CC(=CC(=C1O)O)C[C@@H](C(=O)O)N is a tyrosine derivative that is L-tyrosine in which the hydrogens at positions 3 and 5 on the phenyl ring are replaced by a methyl and hydroxy groups respectively. It is a member of catechols and a L-tyrosine derivative. It is a tautomer of a 5-hydroxy-3-methyl-L-tyrosine zwitterion.
The molecule [H][C@]1(O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@H](OP(O)(=O)OP(O)(=O)OC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(/C)CCC=C(C)C)[C@@H]3NC(C)=O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO [H][C@]1(O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@H](OP(O)(=O)OP(O)(=O)OC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(/C)CCC=C(C)C)[C@@H]3NC(C)=O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO is A polyprenyl glycosyl phosphate consisting of beta-D-galactofuranosyl-(1->4)-alpha-L-rhamnosyl-(1->3)-N-acetyl-alpha-D-glucosamine attached at the 1-position to trans,octacis-decaprenyl phosphate. It is a conjugate acid of beta-D-Galf-(1->4)-alpha-L-Rhap-(1->3)-alpha-D-GlcpNAc-1-diphospho-trans,octacis-decaprenol(2-) . It is also related to or classified as polyprenyl glycosyl phosphate .
The molecule [H][C@@]1(O[C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)[C@@H](C)O[C@H](C[C@H]1O)Oc1ccc(O)c2C(=O)c3c(ccc4cc(C)cc(O)c34)C(=O)c12 [H][C@@]1(O[C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)[C@@H](C)O[C@H](C[C@H]1O)Oc1ccc(O)c2C(=O)c3c(ccc4cc(C)cc(O)c34)C(=O)c12 is Landomycin R. It has the role of metabolite . It is also related to or classified as angucycline  .
The molecule C[C@@H](CCC[C@@H](C)CCC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)CCCC(C)C is (E)-3,7,11,15-tetramethylhexadec-2-en-1-yl diphosphate in which both stereocentres have (R)-configuration. It derives from a phytol. It is a conjugate acid of a phytyl diphosphate(3-).
The molecule O[C@@H]1[C@H](C(O[C@@H]([C@@H]1O)COS([O-])(=O)=O)O)NC(C)=O O[C@@H]1[C@H](C(O[C@@H]([C@@H]1O)COS([O-])(=O)=O)O)NC(C)=O is N-acetyl-D-6-sulfogalactosamine(1-). It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as organosulfate oxoanion  .
The molecule CCOC1=C(C=CC(=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)OS(=O)(=O)C4=CC=CC=C4 CCOC1=C(C=CC(=C1)C(C2=C(NNC2=O)C)C3=C(NNC3=O)C)OS(=O)(=O)C4=CC=CC=C4 is benzenesulfonic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-ethoxyphenyl] ester. It is also related to or classified as benzenesulfonate ester  .
The molecule CC(=O)C=C=C1C(C)(C)CC(CC1(C)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O CC(=O)C=C=C1C(C)(C)CC(CC1(C)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O is 4-[4-(beta-D-glucopyranosyloxy)-2-hydroxy-2,6,6-trimethylcyclohexylidene]-3-Buten-2-one. It is also related to or classified as allenes  . It is also related to or classified as terpene glycoside .
The molecule C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@](C)(CC\C=C(/C)CC\C=C(/C)CC\C=C(\C)CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@](C)(CC\C=C(/C)CC\C=C(/C)CC\C=C(\C)CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O is an acyclic diterpene glycoside consisting of a 20-hydroxygeranyllinalool skeleton conjugated to a glucosyl residue at C-20 and a rhamnosylglucosyl moiety at C-3. It has the role of metabolite . It is also related to or classified as disaccharide derivative , diterpene glycoside .
The molecule Cc1cc(O)c2c3C(=O)c4c(O)ccc(O)c4C(=O)c3ccc2c1 Cc1cc(O)c2c3C(=O)c4c(O)ccc(O)c4C(=O)c3ccc2c1 is 5,6-anhydrolandomycinone. It has the role of metabolite . It is also related to or classified as angucycline  .
The molecule C/C=C/C1=CC(=O)C2=C(O1)C(=C(C=C2C)OC)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O is a member of the class of chromones that is chromone substituted by a methoxy group at position 7, a methyl group at position 5, a propenyl group at position 2 and a beta-D-glucopyranosyl residue at position 8 via a C-glycosidic linkage. It has been isolated from Aloe vera. It has a role as an EC 3.4.23.46 (memapsin 2) inhibitor and a plant metabolite. It is a member of chromones, a C-glycosyl compound and an aromatic ether.
The molecule CCOC1=C(C=CC=N1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CC3=CC=CO3)C CCOC1=C(C=CC=N1)C(=O)OCC(=O)C2=C(N(C(=C2)C)CC3=CC=CO3)C is 2-ethoxy-3-pyridinecarboxylic acid [2-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester. It is also related to or classified as pyridines , aromatic carboxylic acid .
The molecule COC(=O)C1=C(C=CC(=C1)NC(=O)C2=C(OC(=C2)C3=CC=C(C=C3)C(F)(F)F)C(F)(F)F)N4CCOCC4 COC(=O)C1=C(C=CC(=C1)NC(=O)C2=C(OC(=C2)C3=CC=C(C=C3)C(F)(F)F)C(F)(F)F)N4CCOCC4 is 2-(4-morpholinyl)-5-[[oxo-[2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-3-furanyl]methyl]amino]benzoic acid methyl ester. It is also related to or classified as furans , aromatic amide .
The molecule CN[C@@H](C)Cc1ccc(CCCCCC(O)=O)cc1 CN[C@@H](C)Cc1ccc(CCCCCC(O)=O)cc1 is A monocarboxylic acid comprised of hexanoic acid substituted on C-6 by a 4-[(2S)-2-(methylamino)propyl]phenyl group. It has the role of hapten . Its functional parent is hexanoic acid . Its functional parent is methamphetamine . It is also related to or classified as monocarboxylic acid , secondary amino compound .
The molecule CC(C)=CCc1c(oc2c3C=CC(C)(C)Oc3cc(O)c2c1=O)-c1ccc(O)cc1O CC(C)=CCc1c(oc2c3C=CC(C)(C)Oc3cc(O)c2c1=O)-c1ccc(O)cc1O is an extended flavonoid that is flavone substituted by hydroxy groups at positions 5, 2' and 4', a prenyl group at position 3 and a 2,2-dimethyl pyran group across positions 7 and 8. It has the role of antineoplastic agent . It has the role of plant metabolite . It is also related to or classified as trihydroxyflavone , extended flavonoid .
The molecule CC(C(C1=NC2=C(NC1)N=C(NC2=O)N)O)O is a dihydropterin that is biopterin dihydrogenated at positions 7 and 8. It is a member of biopterins and a dihydropterin.
The molecule C1[C@@]2(C=3CC[C@@]4([C@](C3CC[C@]2(C([C@H]([C@@H]1OC(=O)C)O)(C)C)[H])(C)CC[C@]5([C@]4(CC[C@@H]5C(C)C)[H])C)C)C C1[C@@]2(C=3CC[C@@]4([C@](C3CC[C@]2(C([C@H]([C@@H]1OC(=O)C)O)(C)C)[H])(C)CC[C@]5([C@]4(CC[C@@H]5C(C)C)[H])C)C)C is 2alpha-acetoxyisomotiol. It has the role of fungal metabolite . It is also related to or classified as triterpenoid  .
The molecule COc1ccc(CN)cc1 COc1ccc(CN)cc1 is an  aralkylamino compound that is benzylamine substituted by a methoxy group at the para position. It is also related to or classified as aromatic ether , primary amino compound , aralkylamino compound .
The molecule [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@H](O)CCC(C)C [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@H](O)CCC(C)C is an oxysterol that is the 22R-hydroxy derivative of cholesterol. Its functional parent is cholesterol . It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid  . It is also related to or classified as 22-hydroxy steroid , oxysterol .
The molecule C[C@@H]1CC[C@H](O)\C=C\C(=O)O[C@H](C)[C@@H](O)\C=C\C(=O)O1 C[C@@H]1CC[C@H](O)\C=C\C(=O)O[C@H](C)[C@@H](O)\C=C\C(=O)O1 is Clonostachydiol. It has the role of metabolite . It is also related to or classified as macrodiolide .
The molecule CC1=CC(=C2C(=C1)OC3=C(C2=O)[C@H](OC(=O)C=C3Cl)C(=O)OC)O is an organic heterotricyclic compound that is 5-chloro-10-hydroxy-8-methyl-1H-oxepino[4,3-b]chromene-3,11-dione which is substituted at positions 1, 5, 8, and 10 by methoxycarbonyl, chlorine, methyl, and hydroxy groups, respectively (the 1S enantiomer). Found in Monilia fructicola and in the mycoherbicide Alternaria sonchi. It has a role as a plant metabolite and a fungal metabolite. It is an organic heterotricyclic compound, an organochlorine compound, an epsilon-lactone and a methyl ester.
The molecule S(O[C@H]1[C@H](O)[C@H](O[C@@H](O)[C@@H]1O)CO)(O)(=O)=O S(O[C@H]1[C@H](O)[C@H](O[C@@H](O)[C@@H]1O)CO)(O)(=O)=O is A monosaccharide sulfate that is beta-D-glucopyranose in which the hydroxy group at position 3 has been converted into the corresponding hydrogen sulfate derivative. Its functional parent is beta-D-glucose . It is also related to or classified as monosaccharide sulfate .
The molecule CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@H](CC(=O)O1)O)C/C=C\\CCCC(=O)[O-])O is a thromboxane anion that is the conjugate base of 11-dehydro-thromboxane B2, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of an 11-dehydro-thromboxane B2.