anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC=CC1=CC2=C(C=C1)S(=O)(=O)N(C[C@H]([C@@H](O2)CN(C)C(=O)C3=CC=C(C=C3)F)C)[C@@H](C)CO CC=CC1=CC2=C(C=C1)S(=O)(=O)N(C[C@H]([C@@H](O2)CN(C)C(=O)C3=CC=C(C=C3)F)C)[C@@H](C)CO is LSM-37932. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule 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 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 is an alkaloid that is the 14-nor derivative of pseurotin A. Isolated from Aspergillus sydowii, it exhibits antibacterial, antileishmanial and anticancer activities. It has the role of antibacterial agent . It has the role of antineoplastic agent . It has the role of antileishmanial agent . It has the role of Aspergillus metabolite . Its functional parent is pseurotin A . It is also related to or classified as alkaloid  . It is also related to or classified as lactam  .  It is also related to or classified as secondary alcohol  . It is also related to or classified as azaspiro compound , oxaspiro compound .
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=O)C4=C3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C6=CC(=C(C(=C6)O)O)O)O)O)O)O)O)O is a conjugate base of delphinidin 3-O-rutinoside-7-O-beta-D-glucoside arising from selective deprotonation of the 5-hydroxy group; major species at pH 7.3. It is a conjugate base of a delphinidin 3-O-rutinoside-7-O-beta-D-glucoside.
The molecule [H][C@@]12O[C@]1([H])[C@]13OC(=O)[C@@]4(CCC(=C)C[C@@]14[H])CC[C@@]3(C)[C@]1(C)CC[C@@]3([H])[C@](C)(CO)[C@@H](O)CC[C@]3(C)[C@@]21[H] [H][C@@]12O[C@]1([H])[C@]13OC(=O)[C@@]4(CCC(=C)C[C@@]14[H])CC[C@@]3(C)[C@]1(C)CC[C@@]3([H])[C@](C)(CO)[C@@H](O)CC[C@]3(C)[C@@]21[H] is 11alpha,12alpha-epoxy-3beta,23-dihydroxy-30-nor-olean-20(29)-en-28,13beta-olide. It has the role of metabolite . It is also related to or classified as gamma-lactone  .
The molecule [C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)S/C(=N\OS([O-])(=O)=O)/CCC=C [C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)S/C(=N\OS([O-])(=O)=O)/CCC=C is an alkenylglucosinolate that is the conjugate base of gluconapin. It is also related to or classified as alkenylglucosinolate .
The molecule C[C@H]1CC2=C(O1)c1cccc(O)c1C(=O)C2=O C[C@H]1CC2=C(O1)c1cccc(O)c1C(=O)C2=O is A naphthofuran that is 2,3-dihydronaphtho[1,2-b]furan-4,5-dione substitutd by a hydroxy group at position 6 and a methyl group at position 2. It is isolated from Norcardia sp.TC-A0248 and acts as a protein tyrosine phosphatase inhibitor. It has the role of metabolite . It has the role of antimicrobial agent . It has the role of EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor . It has the role of antifungal agent .  It is also related to or classified as phenols  . It is also related to or classified as orthoquinones , naphthofuran .
The molecule CC(C)(C=O)O is a hydroxyaldehyde that is isobutyraldehyde carrying a single hydroxy substituent at position 2. It has a role as a bacterial xenobiotic metabolite. It is a member of propanals, a hydroxyaldehyde and a tertiary alcohol. It derives from an isobutyraldehyde. It derives from a hydride of an isobutane.
The molecule [H][C@@]12CC(=C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(O)=O [H][C@@]12CC(=C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(O)=O is 30-nor-Hederagenin. It has the role of metabolite . It is also related to or classified as steroid  .
The molecule NC(=N)NCCC[C@H](NC(=O)CCC(O)=O)C(O)=O NC(=N)NCCC[C@H](NC(=O)CCC(O)=O)C(O)=O is an N-acyl-L-arginine resulting from the formal condensation of the alpha-amino group of L-arginine with one of the carboxy groups of succinic acid. It has the role of Escherichia coli metabolite . It is a conjugate acid of N(2)-(3-carboxylatopropionyl)-L-arginine(1-) . It is also related to or classified as N-acyl-L-arginine  .
The molecule COc1ccc(CC(C#N)C(\C#N)=C\c2ccc(OC)c(O)c2)cc1 COc1ccc(CC(C#N)C(\C#N)=C\c2ccc(OC)c(O)c2)cc1 is A dinitrile that is butanedinitrile substituted by  3-hydroxy-4-methoxybenzylidene and 4-methoxybenzyl groups at positions 2 and 3 respectively. Isolated from the culture broth of the fungus Neosartorya fischeri, it exhibits antifungal activity. It has the role of antifungal agent . It has the role of fungal metabolite . It is also related to or classified as guaiacols  . It is also related to or classified as dinitrile  .
The molecule COCCOC is a diether that is the 1,2-dimethyl ether of ethane-1,2-diol. It has a role as a non-polar solvent. It derives from an ethylene glycol.
The molecule [H][C@@]12CC(=C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O [H][C@@]12CC(=C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O is Akebonic acid. It has the role of metabolite . It is also related to or classified as organic hydroxy compound .
The molecule CC1(C(C1C(=O)O)/C=C(/C(F)(F)F)\\Cl)C is an organofluorine compound consisting of cyclopropanecarboxylic acid having a 2-chloro-3,3,3-trifluoroprop-1-en-1-yl group at the 3-position and two methyl groups at the 2-position. It is an organochlorine compound, an organofluorine compound and a monocarboxylic acid. It derives from a cyclopropanecarboxylic acid.
The molecule COc1ccc(CC(C#N)C(\C#N)=C\c2ccc(OC)c(OC)c2)cc1 COc1ccc(CC(C#N)C(\C#N)=C\c2ccc(OC)c(OC)c2)cc1 is A dinitrile that is butanedinitrile substituted by 4-methoxybenzyl and  3,4-dimethoxybenzylidene groups at positions 3 and 2 respectively. Isolated from the culture broth of the fungus Neosartorya fischeri, it exhibits antifungal activity. It has the role of metabolite . It has the role of antifungal agent . It is also related to or classified as dinitrile  . It is also related to or classified as methoxybenzenes .
The molecule CC1=C(C(=O)C2=C([C@]3([C@@H]4[C@@H](N4)CN3C2=C1[O-])OC)COC(=O)N)O is an organic anion obtained by removal of the acidic proton from position 8 of 7-demethylmitomycin A. It is a conjugate base of a 7-demethylmitomycin A. It is a conjugate acid of a 7-demethylmitomycin A(2-).
The molecule C1[C@@H]2C([C@@H](N2CC3=CC4=C(C=C3)OCO4)CN1)C5=CC=C(C=C5)C6=CC=C(C=C6)C#N C1[C@@H]2C([C@@H](N2CC3=CC4=C(C=C3)OCO4)CN1)C5=CC=C(C=C5)C6=CC=C(C=C6)C#N is 4-[4-[(1S,5R)-6-(1,3-benzodioxol-5-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile. It is also related to or classified as nitrile  . It is also related to or classified as biphenyls .
The molecule [H][C@@]12CC(=C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@](C)(O)[C@]3([H])CC[C@@]12C)C(O)=O [H][C@@]12CC(=C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@](C)(O)[C@]3([H])CC[C@@]12C)C(O)=O is Paeonenoide C. It has the role of metabolite . It is also related to or classified as tertiary alcohol  .
The molecule O([C@@H]1[C@H](O)C(O)[C@@H](OC1C)OC2=C3C(OC(=C(OC)C3=O)C4=CC(OC)=C(OC)C=C4)=CC(OC)=C2OC)[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO O([C@@H]1[C@H](O)C(O)[C@@H](OC1C)OC2=C3C(OC(=C(OC)C3=O)C4=CC(OC)=C(OC)C=C4)=CC(OC)=C2OC)[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO is Artemetin 5-glucosyl-(1->4)-rhamnoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule COc1ccc(CC(C#N)C(\C#N)=C\c2ccc(OC)cc2)cc1 COc1ccc(CC(C#N)C(\C#N)=C\c2ccc(OC)cc2)cc1 is A dinitrile that is butanedinitrile substituted by  4-methoxybenzyl and  4-methoxybenzylidene groups at positions 2 and 3 respectively. Isolated from the culture broth of the fungus Neosartorya fischeri, it exhibits antifungal activity. It has the role of metabolite . It has the role of antifungal agent .  It is also related to or classified as dinitrile  . It is also related to or classified as monomethoxybenzene .
The molecule CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@H](CO6)O)O)O)O)O)O)C is a ginsenoside found in Panax species that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-S positions, in which the hydroxy group at position 20 has been converted to the corresponding alpha-L-arabinopyranosyl-(1->6)-beta-D-glucopyranoside, and in which a double bond has been introduced at the 24-25 position. It has a role as a plant metabolite. It is a 12beta-hydroxy steroid, a 3beta-hydroxy steroid, a beta-D-glucoside, a disaccharide derivative, a ginsenoside, a tetracyclic triterpenoid and a 3beta-hydroxy-4,4-dimethylsteroid. It derives from a hydride of a dammarane.
The molecule CCCC#CC1=CC=C(C=C1)[C@H]2[C@@H]3CN(CC(=O)N3[C@H]2CO)C(=O)NC4=CC(=CC=C4)F CCCC#CC1=CC=C(C=C1)[C@H]2[C@@H]3CN(CC(=O)N3[C@H]2CO)C(=O)NC4=CC(=CC=C4)F is (6R,7S,8R)-N-(3-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-(4-pent-1-ynylphenyl)-1,4-diazabicyclo[4.2.0]octane-4-carboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule [H][C@@]12O[C@]1([H])[C@]13OC(=O)[C@@]4(CCC(=C)C[C@@]14[H])CC[C@@]3(C)[C@]1(C)CC[C@@]3([H])[C@](O)(CO)[C@@H](O)CC[C@]3(C)[C@@]21[H] [H][C@@]12O[C@]1([H])[C@]13OC(=O)[C@@]4(CCC(=C)C[C@@]14[H])CC[C@@]3(C)[C@]1(C)CC[C@@]3([H])[C@](O)(CO)[C@@H](O)CC[C@]3(C)[C@@]21[H] is Paeonenoide A. It has the role of metabolite . It is also related to or classified as hydroxy steroid .
The molecule 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 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 is A 24-membered macrolide antibiotic isolated from the fermentation broth of Streptomyces sp.NK154183. It exhibits antifungal and antitumour activity against the human colon adenocarcinoma. It has the role of metabolite . It has the role of antineoplastic agent . It has the role of antifungal agent .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as tertiary amine  . It is also related to or classified as secondary alcohol  . It is also related to or classified as macrolide antibiotic , cyclic hemiketal , spiroketal .
The molecule CCCCC[C@@H]1[C@@H](O1)C/C=C\\C/C=C\\C/C=C\\CCCC(=O)[O-] is a 14,15-EET(1-) that is the conjugate base of (14S,15R)-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a (14S,15R)-EET. It is an enantiomer of a (14R,15S)-EET(1-).
The molecule [H][C@@]12CC(=C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](O)(CO)[C@]3([H])CC[C@@]12C)C(O)=O [H][C@@]12CC(=C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](O)(CO)[C@]3([H])CC[C@@]12C)C(O)=O is 3beta,4beta,23-trihydroxy-24,30-dinor-olean-12,20(29)-dien-28-oic acid. It has the role of metabolite . It is also related to or classified as hydroxy steroid .
The molecule C1CCC(=CC1)C2=CC=C(C=C2)[C@H]3[C@@H](N([C@H]3C#N)C(=O)CN4CCOCC4)CO C1CCC(=CC1)C2=CC=C(C=C2)[C@H]3[C@@H](N([C@H]3C#N)C(=O)CN4CCOCC4)CO is (2R,3R,4R)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-1-[2-(4-morpholinyl)-1-oxoethyl]-2-azetidinecarbonitrile. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule 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 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 is A 24-membered macrolide antibiotic isolated from the fermentation broth of Streptomyces sp.NK154183. It exhibits antifungal and antitumour activity against the human colon adenocarcinoma. It has the role of metabolite . It has the role of antineoplastic agent . It has the role of antifungal agent .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as secondary alcohol  . It is also related to or classified as macrolide antibiotic , cyclic hemiketal , spiroketal .
The molecule C1=C(N=C2C(=O)NC(=O)N=C2N1C[C@@H]([C@@H]([C@@H](CO)O)O)O)CO is the pteridine that is lumazine substituted with a hydroxymethyl group at C-6 and a 1-D-ribityl group at N-8. It derives from a ribitol and a lumazine.
The molecule [H][C@@]12CC[C@]3(C)[C@]([H])(C=CC4=C(O)C(=O)C(=O)[C@@]34C)[C@@]1(C)CC[C@H](O)C2(C)C [H][C@@]12CC[C@]3(C)[C@]([H])(C=CC4=C(O)C(=O)C(=O)[C@@]34C)[C@@]1(C)CC[C@H](O)C2(C)C is Palbinone. It has the role of metabolite . It is also related to or classified as 16-oxo steroid  .
The molecule C[C@H]([NH3+])CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 C[C@H]([NH3+])CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 is an acyl-CoA oxoanion arising from deprotonation of phosphate and diphosphate functions as well as protonation of the amino function of L-3-aminobutanoyl-CoA. It is also related to or classified as acyl-CoA oxoanion .
The molecule CC(C)=C\C=C\C1(C)CCN=C(N)N1 CC(C)=C\C=C\C1(C)CCN=C(N)N1 is an alkaloid that is 1,4,5,6-tetrahydropyrimidine substituted by an amino group at position 2 and by a methyl group and a 4-methylpenta-1,3-dien-1-yl group at position 6. Isolated from the leaves of Pterogyne nitens, it exhibits cytotoxicity against a panel of human cancer cell lines. It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as alkaloid  .  It is also related to or classified as 1,4,5,6-tetrahydropyrimidines  . It is also related to or classified as guanidines .
The molecule C=CCO[C@@]1(C[C@H]([C@H]([C@H](O1)[C@@H](CO)O)O)OP(=O)(O)O)C(=O)O is the 1-O-allyl-4-phospho derivative of 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid. It is an aldooctose phosphate, a monocarboxylic acid and a carbohydrate acid derivative. It derives from a 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid.
The molecule [H][C@]1(O[C@H](COC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@H]1O)O[C@@]12C[C@@]3([H])[C@@]4(O)C[C@]1(C)O[C@]([H])(O4)[C@@]23COC(=O)c1ccccc1 [H][C@]1(O[C@H](COC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@H]1O)O[C@@]12C[C@@]3([H])[C@@]4(O)C[C@]1(C)O[C@]([H])(O4)[C@@]23COC(=O)c1ccccc1 is Benzoylpaeoniflorin. It has the role of metabolite . It is also related to or classified as terpene glycoside .
The molecule CC(=O)N(CCOC)C[C@@H]1[C@H]([C@@H](N1C(=O)C2CCC2)CO)C3=CC=CC=C3 CC(=O)N(CCOC)C[C@@H]1[C@H]([C@@H](N1C(=O)C2CCC2)CO)C3=CC=CC=C3 is N-[[(2S,3R,4R)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-(2-methoxyethyl)acetamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule 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 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 is an O-acyl carbohydrate that consists of beta-D-fructofuranosyl beta-D-glucopyranoside in which the hydroxy protons are replaced by acetyl and trans-cinnamoyl groups. Isolated from Phyllanthus niruri, it exhibits anti-HIV activity. It has the role of metabolite . It has the role of anti-HIV agent . Its functional parent is trans-cinnamic acid .  It is also related to or classified as acetate ester  . It is also related to or classified as cinnamate ester , O-acyl carbohydrate , disaccharide derivative .
The molecule CC(C)(C1=CC=CC=C1)O is a tertiary alcohol that is isopropanol in which the hydrogen attached to the carbon bearing the hydroxy group has been replaced by a phenyl group. It has a role as a Mycoplasma genitalium metabolite and a human xenobiotic metabolite. It is a tertiary alcohol and a member of benzyl alcohols. It derives from a hydride of a cumene.
The molecule O1[C@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C(OC)=C(OC)C3)C4=CC(O)=C(O)C=C4)C O1[C@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C(OC)=C(OC)C3)C4=CC(O)=C(O)C=C4)C is eupatolin. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule COc1ccc(C(C)=O)c(O)c1 COc1ccc(C(C)=O)c(O)c1 is Paeonol. It has the role of metabolite . It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule N(=C=S)CCCCS(=O)C N(=C=S)CCCCS(=O)C is an isothiocyanate having a 4-(methylsulfinyl)butyl group attached to the nitrogen. It has the role of antioxidant . It has the role of antineoplastic agent . It has the role of EC 3.5.1.98 (histone deacetylase) inhibitor . It has the role of plant metabolite . It is also related to or classified as sulfoxide  . It is also related to or classified as isothiocyanate  .
The molecule [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 [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 is A tetracyclic triterpenoid that is 3,4-secocycloarta-4(28),24-(Z)-diene substituted by carboxy groups at positions 3 and 26. Isolated from Schisandra henryi and Schisandra propinqua, it exhibits cytotoxic and anti-HIV activities. It has the role of metabolite . It has the role of antineoplastic agent . It has the role of HIV-1 reverse transcriptase inhibitor . It is also related to or classified as tetracyclic triterpenoid , dicarboxylic acid .
The molecule C1[C@@H](NC2=C(N1)N=C(NC2=O)N)CNC3=CC=C(C=C3)C(=O)[O-] is a pteroate that is the conjugate base of (6S)-5,6,7,8-tetrahydropteroic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a (6S)-5,6,7,8-tetrahydropteroic acid.
The molecule O=C1C(=C(OC(=C1C)[C@H]2OC\C(\C2)=C/C(=C/C3=CC=C(NC(=O)C)C=C3)/C)OC)C O=C1C(=C(OC(=C1C)[C@H]2OC\C(\C2)=C/C(=C/C3=CC=C(NC(=O)C)C=C3)/C)OC)C is N-acetylaureothamine. It is also related to or classified as anilide  . It is also related to or classified as acetamides .
The molecule [H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](O)[C@@](C)(CO)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@]1(CC[C@@H](C(C)=C)[C@]21[H])C(O)=O [H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](O)[C@@](C)(CO)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@]1(CC[C@@H](C(C)=C)[C@]21[H])C(O)=O is 23-Hydroxybetulinic acid. It has the role of metabolite . It is also related to or classified as triterpenoid  .
The molecule CN1C[C@H]2[C@H](CC[C@H](O2)CCOC3=C(C=C(C=C3)C#N)C(=O)N(C[C@H](CC1=O)C4=CC=CC=C4)C)OC CN1C[C@H]2[C@H](CC[C@H](O2)CCOC3=C(C=C(C=C3)C#N)C(=O)N(C[C@H](CC1=O)C4=CC=CC=C4)C)OC is LSM-37933. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule COC(=O)[C@]12Oc3cc(C)cc(O)c3C(=O)C1=CC=C[C@H]2O COC(=O)[C@]12Oc3cc(C)cc(O)c3C(=O)C1=CC=C[C@H]2O is A member of the class xanthones which consists of a dihydroxanthone skeleton substituted by hydroxy groups at positions 4 and 8, a methyl group at position 6 and a methoxycarbonyl group at position 4a (the 4R,4aS stereoisomer). It is isolated from Emericella nidulans var lata and Penicillium and exhibits potent antitumour activity against both human and murine tumour cell lines. It has the role of antimicrobial agent . It has the role of antineoplastic agent . It has the role of Penicillium metabolite . It is also related to or classified as methyl ester  . It is also related to or classified as phenols  . It is also related to or classified as xanthones .
The molecule C/C(=C\\C=C\\C=C(/C)\\C=C\\C=C(/C)\\C=C=C1[C@](C[C@H](CC1(C)C)O)(C)O)/C=C/C=C(\\C)/C=C/[C@]23[C@](O2)(C[C@H](CC3(C)C)O)C is a neoxanthin in which all of the double bonds have trans geometry. It has a role as a biological pigment and a plant metabolite.
The molecule N(=C=S)CCCC[S@](=O)C N(=C=S)CCCC[S@](=O)C is A sulforaphane in which the sulfinyl group has R configuration. Naturally occurring compound found in brocolli that acts as a potent inducer of phase II detoxification enzymes. It is also related to or classified as sulforaphane  .
The molecule [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](O)(CO)[C@]3([H])CC[C@@]12C)C(O)=O [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](O)(CO)[C@]3([H])CC[C@@]12C)C(O)=O is 3beta,4beta,23-trihydroxy-24-nor-olean-12-en-28-oic acid. It has the role of metabolite . It is also related to or classified as hydroxy steroid .
The molecule C1=C(NC=N1)CC(=O)C(=O)O is an oxo carboxylic acid that is pyruvic acid in which one of the methyl hydrogens has been replaced by an imidazol-5-yl group. It is a member of imidazoles, an oxo carboxylic acid and a monocarboxylic acid. It derives from a pyruvic acid. It is a conjugate acid of a 3-(imidazol-5-yl)pyruvate.
The molecule COC1=CC(=O)C=C\C\1=N/NC(=O)Cc1ccccc1 COC1=CC(=O)C=C\C\1=N/NC(=O)Cc1ccccc1 is A quinone imine that is 1,4-benzoquinone imine substituted by a methoxy group at position 3 and a (phenylacetyl)nitrilo group attached to the nitrogen atom. Isolated from the fermentation broth of Penicillium minioluteum, it exhibits neurotrophic effect of NGF. It has the role of nerve growth factor stimulator . It has the role of Penicillium metabolite . Its functional parent is 1,4-benzoquinone imine . It is also related to or classified as carbohydrazide  . It is also related to or classified as hydrazone  . It is also related to or classified as quinone imine .
The molecule CCC(C)(C/C(=N\\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O is a hydroxy-alkylglucosinolic acid that consists of 1-thio-beta-D-glucopyranose attached to a 3-hydroxy-3-methyl-N-(sulfooxy)pentanimidoyl group at the anomeric sulfur. It is a conjugate acid of a glucocleomin(1-).
The molecule CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCC([O-])=O CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCC([O-])=O is an acyl-CoA oxoanion that is the pentaanion of pimeloyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as omega-carboxy-(fatty acyl)-CoA(5-)  . It is also related to or classified as omega-carboxyacyl-CoA(5-)  .
The molecule [H][C@@]12CC(C)=CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(O)=O [H][C@@]12CC(C)=CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(O)=O is 3beta,23-dihydroxy-30-nor-olean-12,20-dien-28-oic acid. It has the role of metabolite . It is also related to or classified as steroid  .
The molecule [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 [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 is A germacranolide isolated from Neurolaena lobata and Austroeupatorium inulifolium and has been shown to exhibit antimalarial activity. It has the role of metabolite . It has the role of antimalarial . Its functional parent is isovaleric acid . It is also related to or classified as tertiary alpha-hydroxy ketone  . It is also related to or classified as fatty acid ester  . It is also related to or classified as enone  . It is also related to or classified as germacranolide .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)OC/C=C(\\C)/C=C/C=C(\\C)/C=C/C1=C(CCCC1(C)C)C is a fatty acid ester formed between oleic acid and all-trans-retinol. It derives from an all-trans-retinol and an oleic acid.
The molecule [H][C@@]12O[C@]1([H])[C@]13OC(=O)[C@@]4(CCC(=C)C[C@@]14[H])CC[C@@]3(C)[C@]1(C)CC[C@@]3([H])[C@@](C)(O)[C@@H](O)CC[C@]3(C)[C@@]21[H] [H][C@@]12O[C@]1([H])[C@]13OC(=O)[C@@]4(CCC(=C)C[C@@]14[H])CC[C@@]3(C)[C@]1(C)CC[C@@]3([H])[C@@](C)(O)[C@@H](O)CC[C@]3(C)[C@@]21[H] is 23-Deoxypaeonenoide A, (rel)-. It has the role of metabolite . It is also related to or classified as gamma-lactone  .