anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O([C@H]1[C@@H](C[C@H]([C@@H](O1)C)O)O)[C@@H](CCCCCCCCCCCCCCCCCCCCC(C)=O)C O([C@H]1[C@@H](C[C@H]([C@@H](O1)C)O)O)[C@@H](CCCCCCCCCCCCCCCCCCCCC(C)=O)C is A hydroxy ketone ascaroside obtained by obtained by formal condensation of the 23-hydroxy group of (23R)-23-hydroxytetracosan-2-one with ascarylopyranose (the alpha-anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . It is also related to or classified as methyl ketone , hydroxy ketone ascaroside .
The molecule CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](NC[C@@H]([C@@H](CN(C2=O)C)OC)C)C CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](NC[C@@H]([C@@H](CN(C2=O)C)OC)C)C is N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-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@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O is a gluconate having D-configuration. It has a role as a metabolite and a human metabolite. It is a conjugate base of a D-gluconic acid.
The molecule [H][C@]12C[C@@]1([H])[C@]1(C)[C@H](O)[C@]3(OC)OC(=O)C(CO)=C3C[C@@]1([H])[C@@H]2COC(C)=O [H][C@]12C[C@@]1([H])[C@]1(C)[C@H](O)[C@]3(OC)OC(=O)C(CO)=C3C[C@@]1([H])[C@@H]2COC(C)=O is Chlorajapolide E, (rel)-. It has the role of metabolite . It is also related to or classified as terpene lactone .
The molecule CCCCCCCO is an alkyl alcohol that is heptane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It has been isolated from Capillipedium parviflorum. It has a role as a plant metabolite, a fragrance and a flavouring agent. It is a primary alcohol, an alkyl alcohol and a volatile organic compound. It derives from a hydride of a heptane.
The molecule CCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCC/C=C\\C/C=C\\C/C=C\\CCCCC is a phosphatidylcholine O-40:3 in which the alkyl and acyl groups specified at positions 1 and 2 are eicosyl and (8Z,11Z,14Z)-eicosatrienoyl respectively. It is a phosphatidylcholine O-40:3 and a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine. It derives from an all-cis-icosa-8,11,14-trienoic acid.
The molecule C1C=C1 C1C=C1 is A cycloalkene that consists of cyclopropane having a double bond in the ring. The parent of the class of cyclopropenes. It is also related to or classified as cycloalkene  . It is also related to or classified as cyclopropenes .
The molecule N[C@H](CO)Cc1c[nH]cn1 N[C@H](CO)Cc1c[nH]cn1 is an amino alcohol that is propanol substituted by 1H-imidazol-4-yl group at position 3 and an amino group at position 2 (the 2S stereoisomer). It has the role of Saccharomyces cerevisiae metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . It has the role of EC 2.3.1.97 (glycylpeptide N-tetradecanoyltransferase) inhibitor . It is also related to or classified as amino alcohol , imidazoles .
The molecule [H][C@]12C[C@@]3(C)[C@]4([H])C[C@]4([H])[C@](O)(CO)[C@]3([H])CC1=C(C)C(=O)O2 [H][C@]12C[C@@]3(C)[C@]4([H])C[C@]4([H])[C@](O)(CO)[C@]3([H])CC1=C(C)C(=O)O2 is Chlorajapolide D, (rel)-. It has the role of metabolite . It is also related to or classified as terpene lactone .
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC(=O)O is a docosahexaenoic acid having six cis-double bonds at positions 4, 7, 10, 13, 16 and 19. It has a role as a nutraceutical, an antineoplastic agent, a human metabolite, a Daphnia tenebrosa metabolite, a mouse metabolite and an algal metabolite. It is a docosahexaenoic acid and an omega-3 fatty acid. It is a conjugate acid of a (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate.
The molecule O([C@@H]1[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]2CO)O)O[C@@H]([C@@H]1O)CO)[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C O([C@@H]1[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]2CO)O)O[C@@H]([C@@H]1O)CO)[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C is A trisaccharide consisting that is beta-lactose in which the hydroxy group at the 3' position has been converted into the corresponding alpha-L-fucopyranosyl derivative. Its functional parent is beta-lactose . Its functional parent is alpha-L-fucose . It is also related to or classified as trisaccharide .
The molecule C1=CC=C(C(=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O is a beta-D-glucoside that is beta-D-glucopyranose in which the hydroxy group at position 1R is substituted by a (2-hydroxybenzyl)oxy group. It is isolated from the flowers of Filipendula ulmaria. It has a role as a plant metabolite. It is a beta-D-glucoside, a monosaccharide derivative and a member of phenols.
The molecule CC1=CC(=NC=C1)C2=NC=CC(=C2)C(=O)O is a member of the class of bipyridines that is 2,2'-bipyridine in which the hydrogens situated para to the ring nitrogens have been replaced by methyl and carboxy groups. It is a member of bipyridines, an aromatic carboxylic acid and a monocarboxylic acid.
The molecule COC(=O)[C@@H]1[C@@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1\C(CN2C)=C/C COC(=O)[C@@H]1[C@@H]2Cc3c([nH]c4ccccc34)C(=O)C[C@H]1\C(CN2C)=C/C is an indole alkaloid that is vobasan in which the bridgehead methyl group is substituted by a methoxycarbonyl group and an additional oxo substituent is present in the 3-position. It has the role of antiviral agent . Its functional parent is perivine . It is also related to or classified as methyl ester  . It is also related to or classified as organic heterotetracyclic compound , alkaloid ester , indole alkaloid , cyclic ketone .
The molecule [H][C@]12C[C@]3(C)C(CC1=C(C)C(=O)O2)=C(CO)[C@@]1([H])C[C@@]31[H] [H][C@]12C[C@]3(C)C(CC1=C(C)C(=O)O2)=C(CO)[C@@]1([H])C[C@@]31[H] is Chlorajapolide C, (rel)-. It has the role of metabolite . It is also related to or classified as terpene lactone .
The molecule C(COP(=O)(O)OCC(C(=O)O)N)N=C(N)N is a serine derivative that is serine in which the hydrogen of the hydroxy group has been replaced by a (2-carbamimidamidoethoxy)(hydroxy)phosphoryl group. It has a role as an animal metabolite. It is a member of guanidines, a serine derivative and an O-phosphoamino acid.
The molecule C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=C3C=CC(=C5)O is a steroid glucosiduronic acid that is 17alpha-estradiol in which the hydroxy hydrogen at position 17 has been replaced by a beta-D-glucuronyl residue. It is a steroid glucosiduronic acid, a 3-hydroxy steroid, a member of phenols and a beta-D-glucosiduronic acid. It derives from a 17alpha-estradiol. It is a conjugate acid of a 17alpha-estradiol 17-O-(beta-D-glucuronide)(1-).
The molecule C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O is a rebaudioside that is rubusoside in which the hydroxy groups at positions 3 and 4 of the beta-D-glucopyranosyloxy group at the 13alpha position have both been converted to the corresponding beta-D-glucopyranoside. It has a role as a sweetening agent. It is a beta-D-glucoside, a tetracyclic diterpenoid and a rebaudioside. It derives from a rubusoside and a beta-D-Glcp-(1->2)-[beta-D-Glcp-(1->3)]-beta-D-Glcp.
The molecule [H][C@]12C[C@]3(C)C4=C([C@@H](O)O[C@@]4([H])C1=C(C)C(=O)O2)[C@@]1([H])C[C@@]31[H] [H][C@]12C[C@]3(C)C4=C([C@@H](O)O[C@@]4([H])C1=C(C)C(=O)O2)[C@@]1([H])C[C@@]31[H] is Chlorajapolide B, (rel)-. It has the role of metabolite . It is also related to or classified as terpene lactone .
The molecule C1CCOCC1 is a saturated organic heteromonocyclic parent that is cyclohexane in which one of the carbon atoms has been replaced by an oxygen atom. It is a saturated organic heteromonocyclic parent and a member of oxanes.
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\CCCCCCCCC(=O)[O-] is a long-chain polyunsaturated fatty acid anion that is the conjugate base of (10Z,13Z,16Z)-docosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a (10Z,13Z,16Z)-docosatrienoic acid.
The molecule O=C1N[C@](OC)(C(=O)N[C@]1(OC)CO)CC=2C3=C(C=CC=C3)NC2 O=C1N[C@](OC)(C(=O)N[C@]1(OC)CO)CC=2C3=C(C=CC=C3)NC2 is Chetocochliodin G. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@@H](CO2)C)CCC3=CC=CC=C3)C)OC)C CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@@H](CO2)C)CCC3=CC=CC=C3)C)OC)C is N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-phenylethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C\C(CO)=C/CC\C(C)=C\CO C\C(CO)=C/CC\C(C)=C\CO is A monoterpenoid that is geraniol bearing a hydroxy substituent at position 8. It is also related to or classified as diol  .  It is also related to or classified as prenols  . It is also related to or classified as monoterpenoid .
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/CO)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C is a long-chain primary fatty alcohol that is the all-trans-isomer of undecaprenol. It is a member of undecaprenols and a long-chain primary fatty alcohol.
The molecule CC(=C)c1cc2cc(C(C)=O)c(O)cc2o1 CC(=C)c1cc2cc(C(C)=O)c(O)cc2o1 is Euparin. It has the role of metabolite . It is also related to or classified as benzofurans .
The molecule S(C[C@@H]1NC(=O)[C@@](NC1=O)([C@H]([C@]2(O)C=3C(N(C2=O)C)=CC=CC3)C)[H])C S(C[C@@H]1NC(=O)[C@@](NC1=O)([C@H]([C@]2(O)C=3C(N(C2=O)C)=CC=CC3)C)[H])C is maremycin A. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\\CCCCCCCC is a 1,2-diacyl-sn-glycerol 3-phosphate in which the 1- and 2-acyl groups are palmitoyl and oleoyl respectively. It is a conjugate acid of a 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphate(2-).
The molecule CCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCC is a 2,3-diacyl-sn-glycerol in which both the 2- and 3-acyl groups are specified as octanoyl. It is a 2,3-diacyl-sn-glycerol and a dioctanoylglycerol. It is an enantiomer of a 1,2-dioctanoyl-sn-glycerol.
The molecule C=1C=CC=C2NC(C(C12)CC(=O)O)=O C=1C=CC=C2NC(C(C12)CC(=O)O)=O is A member of the class of oxindoles that is 2-oxindole carrying a carboxymethyl substituent at position 3. It has the role of plant metabolite . It is a conjugate acid of 2-oxindole-3-acetate . It is also related to or classified as indole-3-acetic acids , monocarboxylic acid , oxindoles .
The molecule C[C@H]1CC[C@@H](COC1=O)C(C)=C C[C@H]1CC[C@@H](COC1=O)C(C)=C is an optically active form of 6-isopropenyl-3-methyloxepan-2-one having (3S,6R)-configuration. It is also related to or classified as 6-isopropenyl-3-methyloxepan-2-one  .
The molecule CC[C@@H](CC(=O)[O-])O is a 3-hydroxy fatty acid anion resulting from the deprotonation of the carboxy group of (S)-3-hydroxypentanoic acid. The major species at pH 7.3. It is a short-chain fatty acid anion and a 3-hydroxy fatty acid anion. It is a conjugate base of a (S)-3-hydroxypentanoic acid. It is an enantiomer of a (R)-3-hydroxypentanoate.
The molecule Cc1ccc(C(=O)CCC(=O)c2ccc(C)cc2O)c(O)c1 Cc1ccc(C(=O)CCC(=O)c2ccc(C)cc2O)c(O)c1 is Hofmeisterin II. It has the role of metabolite . It is also related to or classified as butanone .
The molecule O=C1OC(C2=CC(OC)=C(OC)C(=C2)O)=CC3=C1C[C@]4(O)[C@]5(C(=O)C=CC([C@]5(O)CC[C@]4(O3)C)(C)C)C O=C1OC(C2=CC(OC)=C(OC)C(=C2)O)=CC3=C1C[C@]4(O)[C@]5(C(=O)C=CC([C@]5(O)CC[C@]4(O3)C)(C)C)C is Territrem D. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCC is an acyclic carboxylic anhydride resulting from the formal condensation of the carboxy groups of two molecules of dodecanoic acid. It derives from a dodecanoic acid.
The molecule C(CCN)C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)O)N is a dipeptide composed of L-lysine and L-glutamine joined by a peptide linkage. It has a role as a metabolite. It derives from a L-lysine and a L-glutamine.
The molecule CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])[O-])CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@@]3(C[C@H]([C@H]([C@H](O3)[C@@H](CO)O)O)O)C(=O)[O-])OP(=O)([O-])[O-])OC(=O)C[C@@H](CCCCCCCCCCC)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O is (KDO)-lipid IVA deprotonated at both phosphono groups and at the uronic acid carboxy group. It is the major species at pH 7.3. It is a conjugate base of a (KDO)-lipid IVA.
The molecule CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCC(C)C)O is a N-acyl-15-methylhexadecasphinganine in which the acyl group has 24 carbons and 0 double bonds. It has a role as a Caenorhabditis elegans metabolite. It is a N-acyl-15-methylhexadecasphinganine and a N-(very-long-chain fatty acyl)-sphingoid base.
The molecule C[C@H]1CC[C@H](COC1=O)C(C)=C C[C@H]1CC[C@H](COC1=O)C(C)=C is an optically active form of 6-isopropenyl-3-methyloxepan-2-one having (3S,6S)-configuration. It is also related to or classified as 6-isopropenyl-3-methyloxepan-2-one  .
The molecule CC1=CC(=C(C=C1O)NC2=NC=NC3=C2C=CC(=C3)OCC4=CC=CC=C4)F.Cl is a hydrochloride obtained by combining ZM 323881 with one molar equivalent of hydrochloric acid. It has a role as a vascular endothelial growth factor receptor antagonist and an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor. It contains a ZM 323881(1+).
The molecule CC(=O)c1ccc(CO)cc1O CC(=O)c1ccc(CO)cc1O is 1-[2-hydroxy-4-(hydroxymethyl)phenyl]ethan-1-one. It has the role of metabolite . It is also related to or classified as acetophenones .
The molecule [Na+].[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)CSC[C@@H](N)C(O)=O)OC)C([O-])=O [Na+].[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)CSC[C@@H](N)C(O)=O)OC)C([O-])=O is an organic sodium salt of cefminox. It is also related to or classified as organic sodium salt .
The molecule CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC is a phosphatidylcholine 24:0 in which the acyl groups at positions 1 and 2 are specified as lauroyl (dodecanoyl). It has a role as a LRH-1 agonist. It is a phosphatidylcholine 24:0 and a dodecanoate ester. It is a conjugate base of a 1,2-dilauroyl-sn-glycero-3-phosphocholine(1+).
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCCCCCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O)O is a 3-hydroxy fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (3R,23Z,26Z,29Z,32Z,35Z)-3-hydroxyoctatriacontapentaenoyl-CoA; major species at pH 7.3. It is a (R)-3-hydroxyacyl-CoA(4-), a 3-hydroxy fatty acyl-CoA(4-) and an 11,12-saturated fatty acyl-CoA(4-). It is a conjugate base of a (3R,23Z,26Z,29Z,32Z,35Z)-3-hydroxyoctatriacontapentaenoyl-CoA.
The molecule C[C@@H]1CC[C@H](COC1=O)C(C)=C C[C@@H]1CC[C@H](COC1=O)C(C)=C is an optically active form of 6-isopropenyl-3-methyloxepan-2-one having (3R,6S)-configuration. It is also related to or classified as 6-isopropenyl-3-methyloxepan-2-one  .
The molecule C(C(CN)O)C(=O)[O-] is the conjugate base of gamma-amino-beta-hydroxybutyric acid arising from deprotonation of the carboxy group. It is a hydroxy monocarboxylic acid anion and a gamma-amino acid anion. It derives from a butyrate. It is a conjugate base of a gamma-amino-beta-hydroxybutyric acid and a gamma-amino-beta-hydroxybutyric acid zwitterion.
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](OC([C@@H]([C@H]2O)NC(=O)C)O)CO)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[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O is a branched ten-membered mannooligosaccharide derivative consisting of eight D-mannosyl residues and two N-acetylglucosamine residues, one of which is at the reducing end. It is a glucosamine oligosaccharide, a mannooligosaccharide derivative and a N-glycan derivative.
The molecule [H][C@@]12Oc3cc(C)ccc3[C@]1(O)CC[C@@]1(O2)[C@@H](O)Oc2cc(C)ccc12 [H][C@@]12Oc3cc(C)ccc3[C@]1(O)CC[C@@]1(O2)[C@@H](O)Oc2cc(C)ccc12 is 3',4',4a',9a'-tetrahydro-6,7'-dimethylspiro[benzofuran-3(2H),2'-pyrano[2,3-b]benzofuran]-2,4a'-diol. It has the role of metabolite . It is also related to or classified as furopyran .
The molecule CC(C)=CCC\C(C)=C\CC\C(CO)=C\CC\C(C)=C\CO CC(C)=CCC\C(C)=C\CC\C(CO)=C\CC\C(C)=C\CO is A diterpenoid that is geranylgeraniol carrying an additional hydroxy substituent at position 18. It has the role of antibacterial agent . It has the role of antineoplastic agent . It has the role of anti-ulcer drug . It has the role of apoptosis inducer . It has the role of vulnerary . It has the role of nephroprotective 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 diterpenoid  .
The molecule C1=CC=C2C(=C1)C(=C(N2)O)C3=C(C4=CC=CC=C4N3)N=O is a member of the class of biindoles that is indirubin in which the keto group at position 3' has undergone condensation with hydroxylamine to form the corresponding oxime. It has a role as an EC 2.7.11.22 (cyclin-dependent kinase) inhibitor, an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor, an osteogenesis regulator, a neuroprotective agent and an anti-obesity agent. It is a member of oxindoles, a bisindole, a ring assembly, a ketoxime and an alkaloid.
The molecule C1[C@H](NCC1=O)C(=O)O is the L-enantiomer of 4-oxoproline. It is a 4-oxoproline, a L-proline derivative and a non-proteinogenic L-alpha-amino acid. It is a tautomer of a 4-oxo-L-proline zwitterion.
The molecule C1CCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CC1)O)O)O is a cyclic hydroxamic acid siderophore that is produced by several bacterial species and exhibits antitumour activity. It has a role as a siderophore, a bacterial metabolite, a marine metabolite and an antineoplastic agent. It is a cyclic desferrioxamine, a macrocycle and a cyclic hydroxamic acid. It is a conjugate acid of a desferrioxamine E(3-).
The molecule CC1CCC(COC1=O)C(C)=C CC1CCC(COC1=O)C(C)=C is A terpene lactone that consists of oxepan-2-one bearing methyl and isopropenyl substituents at positions 3 and 6 respectively. It is also related to or classified as monoterpenoid , terpene lactone , epsilon-lactone .
The molecule CC/C=C\\C/C=C\\C/C=C\\CCOS(=O)(=O)O is a sulfuric ester of (3Z,6Z,9Z)-dodeca-3,6,9-trien-1-ol. It has a role as a Daphnia pulex metabolite and a kairomone. It is an organic sulfate and a sulfuric ester. It is a conjugate acid of a (3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl sulfate.
The molecule C\C=C(\C)C(=O)OCC(O)(COC(C)=O)c1ccc(C)cc1O C\C=C(\C)C(=O)OCC(O)(COC(C)=O)c1ccc(C)cc1O is 10-acetoxy-8-hydroxy-9-O-angeloylthmol. It has the role of metabolite . It is also related to or classified as hydroxytoluene  .
The molecule CCCCCCCCCC(=O)OC[C@@H](CO)O is a 3-acyl-sn-glycerol that is the R-enantiomer of 2,3-dihydroxypropyl decanoate. It is a 3-acyl-sn-glycerol and a 1-monodecanoylglycerol. It is an enantiomer of a 1-decanoyl-sn-glycerol.
The molecule CC1(CCCCC1)COc1ccc(CC2SC(=O)NC2=O)cc1 CC1(CCCCC1)COc1ccc(CC2SC(=O)NC2=O)cc1 is an aromatic ether that consists of 1,3-thiazolidine-2,4-dione with position 5 substituted by a 4-[(1-methylcyclohexyl)methoxy]benzyl group. A selective PPARgamma agonist. It has the role of antineoplastic agent . It has the role of insulin-sensitizing drug . It is also related to or classified as aromatic ether , thiazolidinone .
The molecule C1=CC=NC(=C1)CCl is an organochlorine compound that is pyridine substituted at position 2 by a chloromethyl group. It is a member of pyridines and an organochlorine compound. It is a conjugate base of a 2-(chloromethyl)pyridinium.
The molecule COC(C)(COC(=O)C(\C)=C/C)c1ccc(C)cc1O COC(C)(COC(=O)C(\C)=C/C)c1ccc(C)cc1O is 8-methoxy-9-O-angeloylthymol. It has the role of metabolite . It is also related to or classified as enoate ester  .
The molecule S([C@H]1C(=O)[C@@]23C(=O)N[C@H]([C@@H]2C(C)=C(C([C@@H]3C=C(C)CC[C@H](C(C1)=O)O)OO)C)CC(C)C)[C@H]4C(=O)[C@@]56C(=O)N[C@H]([C@@H]5[C@H](C)C(=C[C@@H]6C=C(C)CC[C@H](C(C4)=O)O)C)CC(C)C S([C@H]1C(=O)[C@@]23C(=O)N[C@H]([C@@H]2C(C)=C(C([C@@H]3C=C(C)CC[C@H](C(C1)=O)O)OO)C)CC(C)C)[C@H]4C(=O)[C@@]56C(=O)N[C@H]([C@@H]5[C@H](C)C(=C[C@@H]6C=C(C)CC[C@H](C(C4)=O)O)C)CC(C)C is Bisaspochalasin C. It has the role of fungal metabolite . It is also related to or classified as cytochalasin .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC is a 1,2-diacyl-sn-glycerol 3-phosphate(2-) in which the 1- and 2-acyl substituent are specified as oleoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively; major species at pH 7.3. It is a conjugate base of a 1-oleoyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphate.
The molecule CCCCC/C=C/C=C/C1=C(C(=O)C2=C(O1)C(N(C2=O)C)C)O is a member of the class of pyranopyrroles with formula C18H23NO4, originally isolated from Aspergillus niger. It has a role as an Aspergillus metabolite and a marine metabolite. It is a gamma-lactam, an enol, a pyranopyrrole and a cyclic ketone.
The molecule C[C@@H](O)CC[C@@H](CC(O)=O)C(C)=C C[C@@H](O)CC[C@@H](CC(O)=O)C(C)=C is an optically active form of 6-hydroxy-3-isopropenylheptanoic acid having (3S,6R)-configuration. It is a conjugate acid of (3S,6R)-6-hydroxy-3-isopropenylheptanoate . It is also related to or classified as 6-hydroxy-3-isopropenylheptanoic acid  .
The molecule CC1=C(C2=CC3=C(C(=C([N-]3)C=C4[C@@](C(=O)C(=N4)C=C5[C@@](C(=O)C(=N5)C=C1[N-]2)(C)CC(=O)O)(C)CC(=O)O)C)/C=C/C(=O)O)CCC(=O)O.[Fe] is a ferroheme having four carboxy groups and oxo groups on two of the pyrrole rings. It is a ferroheme, a metallochlorin, a diketone and a tetracarboxylic acid. It is a conjugate acid of a ferroheme d1(4-).
The molecule COC(C)(COC(=O)C(C)C)c1ccc(C)cc1O COC(C)(COC(=O)C(C)C)c1ccc(C)cc1O is 8-methoxy-9-O-isobutyrylthymol. It has the role of metabolite . It is also related to or classified as benzyl ether .
The molecule Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc12 Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc12 is A quinolinium ion comprising decane in which one methyl hydrogen at each end of the molecule has been replaced by a 4-amino-2-methylquinolin-1-yl group. It has the role of antineoplastic agent . It has the role of antifungal agent . It has the role of mitochondrial NADH:ubiquinone reductase inhibitor . It has the role of antiseptic drug . It is also related to or classified as quinolinium ion .
The molecule CC(=O)OC1=C(C=C(C=C1OC)C=O)OC is a phenyl acetate obtained by the formal condensation of the hydroxy group of syringaldehyde with acetic acid. It is a dimethoxybenzene, a member of benzaldehydes and a member of phenyl acetates. It derives from a syringaldehyde.
The molecule [H][C@]12CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCc1cc(OC(=O)N(CCCl)CCCl)ccc21)OP([O-])([O-])=O [H][C@]12CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCc1cc(OC(=O)N(CCCl)CCCl)ccc21)OP([O-])([O-])=O is A steroid phosphate oxoanion which is the dianion obtained by deprotonation of the phosphate OH groups of estramustine phosphate. It is also related to or classified as steroid phosphate oxoanion .
The molecule C1=CC(=CC=C1CC(C(=O)[O-])O)O is a 2-hydroxy carboxylate that is obtained by removal of a proton from the carboxylic acid group of 3-(4-hydroxyphenyl)lactic acid. It has a role as a human metabolite. It is a hydroxy monocarboxylic acid anion and a 2-hydroxy carboxylate. It derives from a lactate. It is a conjugate base of a 3-(4-hydroxyphenyl)lactic acid.