anonymous041/ChEBI-Augmented huggingface dataset:
The molecule OCC(CCC(O)=O)C(O)=O OCC(CCC(O)=O)C(O)=O is the 2-hydroxymethyl derivative of glutaric acid. Its functional parent is glutaric acid . It is a conjugate acid of 2-hydroxymethylglutarate . It is also related to or classified as dicarboxylic fatty acid , dicarboxylic acid .
The molecule O[C@H](\C=C\CCCCCCCCC\C=C/CCCC\C=C/CCCCC\C=C\[C@@H](O)C#C)C#C O[C@H](\C=C\CCCCCCCCC\C=C/CCCC\C=C/CCCCC\C=C\[C@@H](O)C#C)C#C is an enyne that is  (4E,11Z,17Z,28E)-dotriaconta-4,11,17,28-tetraene-1,31-diyne substituted by hydroxy groups at positions 3 and 30 (the 3R,30R-stereoisomer). It has been isolated from the marine sponge Petrosia. It has the role of antineoplastic agent . It has the role of animal metabolite . It has the role of marine metabolite . It is also related to or classified as diol  . It is also related to or classified as secondary alcohol  .  It is also related to or classified as terminal acetylenic compound  . It is also related to or classified as enyne .
The molecule C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O is an alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-D-Manp in which the carbon bearing the anomeric hydroxy group has alpha- configuration. It derives from an alpha-D-Manp-(1->2)-alpha-D-Manp.
The molecule CCCCCCCCC(C)CCCCCCC\C=C/CCCCCC[C@@H]1OC[C@H](N)[C@@H]1O CCCCCCCCC(C)CCCCCCC\C=C/CCCCCC[C@@H]1OC[C@H](N)[C@@H]1O is Penasin D. It has the role of metabolite . It is also related to or classified as monosaccharide  .
The molecule [NH3+][C@H]1[C@H](O)C=CC=C1C([O-])=O [NH3+][C@H]1[C@H](O)C=CC=C1C([O-])=O is A 2,3-dihydro-3-hydroxyanthranilic acid zwitterion, obtained by transfer of a proton from the carboxylic acid group to the amino group of (2R,3R)-2,3-dihydro-3-hydroxyanthranilic acid. It is also related to or classified as 2,3-dihydro-3-hydroxyanthranilic acid zwitterion  .
The molecule NCCCCCNCCCN NCCCCCNCCCN is A polyazaalkane that is the 1,4,11-triaza derivative of undecane. It has the role of Escherichia coli metabolite . It is also related to or classified as triamine  . It is also related to or classified as polyazaalkane .
The molecule CCCCCCCC1=C(C(=O)C2=CC=CC=C2N1)O is a quinolone consisting of quinolin-4(1H)-one carrying a heptyl substituent at position 2 and a hydroxy group at position 3. It has a role as a signalling molecule.
The molecule ClC\C=C/Cl ClC\C=C/Cl is the (Z)-isomer of 1,3-dichloropropene. It is also related to or classified as 1,3-dichloropropene , chloroalkene .
The molecule O[C@H](\C=C\CCCCCCCCCCC\C=C/CCCCCCCCC\C=C\[C@@H](O)C#C)C#C O[C@H](\C=C\CCCCCCCCCCC\C=C/CCCCCCCCC\C=C\[C@@H](O)C#C)C#C is an enyne that is (4E,15Z,28E)-dotriaconta-4,15,28-triene-1,31-diyne substituted by hydroxy groups at positions 3 and 30 (the 3R,30R-stereoiosmer). It has been isolated from the marine sponge Petrosia. It has the role of antineoplastic agent . It has the role of animal metabolite . It has the role of marine metabolite . It is also related to or classified as diol  . It is also related to or classified as secondary alcohol  .  It is also related to or classified as terminal acetylenic compound  . It is also related to or classified as enyne .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC is a phosphatidylcholine 38:5 in which the acyl groups at positions 1 and 2 are hexadecanoyl and (7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl respectively. It has a role as a mouse metabolite. It derives from a (7Z,10Z,13Z,16Z,19Z)-docosapentaenoic acid and a hexadecanoic acid.
The molecule CCCCCCCCCC(C)CCCCCC\C=C/CCCCCC[C@@H]1OC[C@H](N)[C@@H]1O CCCCCCCCCC(C)CCCCCC\C=C/CCCCCC[C@@H]1OC[C@H](N)[C@@H]1O is Penasin C. It has the role of metabolite . It is also related to or classified as monosaccharide  .
The molecule [NH3+]C1C(O)C=CC=C1C([O-])=O [NH3+]C1C(O)C=CC=C1C([O-])=O is an amino acid zwitterion, obtained by transfer of a proton from the carboxylic acid group to the amino group of 2,3-dihydro-3-hydroxyanthranilic acid. It is also related to or classified as amino-acid zwitterion .
The molecule COC(=O)[C@H](CCCCN)NC(C)=O COC(=O)[C@H](CCCCN)NC(C)=O is an alpha-amino acid ester obtained by formal condensation of the carboxy group of N(alpha)-acetyl-L-lysine with the hydroxy group of methanol.   It is also related to or classified as methyl ester  . It is also related to or classified as alpha-amino acid ester  . It is also related to or classified as acetamides , L-lysine derivative , primary amino compound .
The molecule CCCCCCCC(C)CCC is an alkane that is undecane substituted by a methyl group at position 4. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It derives from a hydride of an undecane.
The molecule O[C@H](\C=C\CCCCCCCCC\C=C/CCCCCCCCC\C=C\[C@@H](O)C#C)C#C O[C@H](\C=C\CCCCCCCCC\C=C/CCCCCCCCC\C=C\[C@@H](O)C#C)C#C is an  enyne that is (4E,15Z,26E)-triaconta-4,15,26-triene-1,29-diyne substituted by hydroxy groups at positions 3 and 28 (the 3R,28R-stereoisomer). It has been isolated from the marine sponge Petrosia. It has the role of antineoplastic agent . It has the role of animal metabolite . It has the role of marine metabolite . It is also related to or classified as diol  . It is also related to or classified as secondary alcohol  .  It is also related to or classified as terminal acetylenic compound  . It is also related to or classified as enyne .
The molecule CSCCCCC/C(=N/OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O is a thia-alkylglucosinolic acid that consists of 1-thio-beta-D-glucopyranose attached to a 6-(methylsulfanyl)-N-(sulfooxy)hexanimidoyl group at the anomeric sulfur. It is a thia-alkylglucosinolic acid and an organic sulfide. It is a conjugate acid of a glucoberteroin(1-).
The molecule CCCCCCCCCCCCCCCC\C=C(/Cl)CC\C=C/CCCC[C@@H]1OC[C@H](N)[C@@H]1O CCCCCCCCCCCCCCCC\C=C(/Cl)CC\C=C/CCCC[C@@H]1OC[C@H](N)[C@@H]1O is Penasin B. It has the role of metabolite . It is also related to or classified as monosaccharide  .
The molecule [NH3+][C@@H]1[C@H](O)C=CC=C1C([O-])=O [NH3+][C@@H]1[C@H](O)C=CC=C1C([O-])=O is A 2,3-dihydro-3-hydroxyanthranilic acid zwitterion, obtained by transfer of a proton from the carboxylic acid group to the amino group of (2S,3R)-2,3-dihydro-3-hydroxyanthranilic acid. It is also related to or classified as 2,3-dihydro-3-hydroxyanthranilic acid zwitterion  .
The molecule [NH3+]CCCCC[NH2+]CCC[NH3+] [NH3+]CCCCC[NH2+]CCC[NH3+] is A triply-charged organic cation obtained by protonation of all three amino groups of aminopropylcadaverine; major species at pH 7.3. It is a conjugate acid of aminopropylcadaverine . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule [H][C@]12OC3(O[C@]1([C@@H](O)[C@@H](C)[C@]1(O3)[C@]3([H])C[C@H](C)[C@H](OC(C)=O)[C@@]3(O)[C@H](OC(C)=O)[C@](C)(OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@@]21[H])C(C)=C)c1ccccc1 [H][C@]12OC3(O[C@]1([C@@H](O)[C@@H](C)[C@]1(O3)[C@]3([H])C[C@H](C)[C@H](OC(C)=O)[C@@]3(O)[C@H](OC(C)=O)[C@](C)(OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@@]21[H])C(C)=C)c1ccccc1 is Trigoxyphin F. It has the role of metabolite . It is also related to or classified as diterpenoid  .
The molecule C(CC(=O)O)[C@@H](C(=O)O)NC(=O)C(CC(=O)O)(CC(=O)O)O is an N-acyl-L-glutamic acid in which the acyl group is specified as beta-citryl. It has a role as a human metabolite and an iron chelator. It is a tetracarboxylic acid and a N-acyl-L-glutamic acid. It derives from a citric acid.
The molecule CCCCCCCCCCCCCCCC\C=C/CC\C=C/CCCC[C@@H]1OC[C@H](N)[C@@H]1O CCCCCCCCCCCCCCCC\C=C/CC\C=C/CCCC[C@@H]1OC[C@H](N)[C@@H]1O is Penasin A. It has the role of metabolite . It is also related to or classified as monosaccharide  .
The molecule [NH3+][C@H]1[C@@H](O)C=CC=C1C([O-])=O [NH3+][C@H]1[C@@H](O)C=CC=C1C([O-])=O is A 2,3-dihydro-3-hydroxyanthranilic acid zwitterion, obtained by transfer of a proton from the carboxylic acid group to the amino group of (2R,3S)-2,3-dihydro-3-hydroxyanthranilic acid. It is also related to or classified as 2,3-dihydro-3-hydroxyanthranilic acid zwitterion  .
The molecule [H]C(=C([H])c1cc2ccc(cc2oc1=O)N(CC)CC)c1ccc(c[n+]1CCCCCC(O)=O)S([O-])(=O)=O [H]C(=C([H])c1cc2ccc(cc2oc1=O)N(CC)CC)c1ccc(c[n+]1CCCCCC(O)=O)S([O-])(=O)=O is DY-480XL. It has the role of fluorochrome . It is also related to or classified as iminium betaine .
The molecule COC(=O)[C@H](CCCCNP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1nc(N)[nH]c2=O)NC(C)=O COC(=O)[C@H](CCCCNP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1nc(N)[nH]c2=O)NC(C)=O is A organic phosphoramidate that is guanosine 5'-monophosphate in which one of the hydroxy groups of the phosphate has been condensed with the side chain amino group of N(alpha)-acetyl-L-lysine methyl ester. Its functional parent is guanosine 5'-monophosphate . It is a conjugate acid of N(epsilon)-(5'-guanylyl)-N(alpha)-acetyl-L-lysine methyl ester(1-) .   It is also related to or classified as methyl ester  . It is also related to or classified as acetamides , L-lysine derivative , organic phosphoramidate .
The molecule [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@@H](C2)OS([O-])(=O)=O)[C@H](C)CCC(=O)NCC([O-])=O [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@@H](C2)OS([O-])(=O)=O)[C@H](C)CCC(=O)NCC([O-])=O is A steroid sulfate oxoanion obtained by deprotonation of the carboxylic acid and sulfate functions of glycochenodeoxycholic acid 7-sulfate. It is also related to or classified as glycochenodeoxycholic acid sulfate anion , steroid sulfate oxoanion .
The molecule [H][C@@]12C[C@H](C)[C@H](OC(C)=O)[C@@]1(O)[C@H](OC(C)=O)[C@](C)(OC(=O)c1ccccc1)[C@@H](OC(C)=O)[C@@]1([H])[C@@]3([H])OC4(O[C@@H]([C@@H](C)[C@]21O4)[C@@]3(OC(C)=O)C(C)=C)c1ccccc1 [H][C@@]12C[C@H](C)[C@H](OC(C)=O)[C@@]1(O)[C@H](OC(C)=O)[C@](C)(OC(=O)c1ccccc1)[C@@H](OC(C)=O)[C@@]1([H])[C@@]3([H])OC4(O[C@@H]([C@@H](C)[C@]21O4)[C@@]3(OC(C)=O)C(C)=C)c1ccccc1 is Trigoxyphin E. It has the role of metabolite . It is also related to or classified as diterpenoid  .
The molecule CC(C)[C@@H](C(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC(=O)O)N is a tetrapeptide composed of L-aspartic acid, two L-tryptophan units and L-valine joined in sequence by peptide linkages. It has a role as a metabolite. It derives from a L-aspartic acid, a L-tryptophan and a L-valine.
The molecule C[C@@H]1CCC(=O)C2=C3OC4(C)C(C)C[C@@]3(OC2=O)C(\C=C\[C@H]1O)[C@H]4O C[C@@H]1CCC(=O)C2=C3OC4(C)C(C)C[C@@]3(OC2=O)C(\C=C\[C@H]1O)[C@H]4O is Abyssomicin I. It has the role of metabolite . It is also related to or classified as oxanes .
The molecule N[C@H]1[C@H](O)C=CC=C1C(O)=O N[C@H]1[C@H](O)C=CC=C1C(O)=O is A 2,3-dihydro-3-hydroxyanthranilic acid in which both stereocentres have R-configuration. It is also related to or classified as 2,3-dihydro-3-hydroxyanthranilic acid  .
The molecule NC(=O)N[C@@H](CS)C(O)=O NC(=O)N[C@@H](CS)C(O)=O is A cysteine derivative that is the N-carbamoyl derivative of L-cysteine. It has the role of antifungal agent . It has the role of cosmetic . It is a conjugate acid of N-carbamoyl-L-cysteinate(1-) . It is also related to or classified as L-cysteine derivative .
The molecule [H][C@@]12C[C@H](C)[C@H](OC(C)=O)[C@@]1(O)[C@H](OC(C)=O)[C@](C)(OC(=O)c1ccccc1)[C@@H](OC(C)=O)[C@@]1([H])[C@@]3([H])OC4(O[C@@H]([C@@H](C)[C@]21O4)[C@@]3(O)C(C)=C)c1ccccc1 [H][C@@]12C[C@H](C)[C@H](OC(C)=O)[C@@]1(O)[C@H](OC(C)=O)[C@](C)(OC(=O)c1ccccc1)[C@@H](OC(C)=O)[C@@]1([H])[C@@]3([H])OC4(O[C@@H]([C@@H](C)[C@]21O4)[C@@]3(O)C(C)=C)c1ccccc1 is Trigoxyphin D. It has the role of metabolite . It is also related to or classified as diterpenoid  .
The molecule CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C)C)OC(=O)CC is a steroid ester comprising beclomethasone having propionyl groups at the 17- and 21-positions. It has a role as an anti-inflammatory drug, an anti-asthmatic drug, a prodrug and an anti-arrhythmia drug. It is a steroid ester, an enone, a 20-oxo steroid, an 11beta-hydroxy steroid, a propanoate ester, a corticosteroid, a glucocorticoid, a 3-oxo-Delta(1),Delta(4)-steroid and a chlorinated steroid. It derives from a beclomethasone.
The molecule Cc1cc(=O)n2nc(CC(=O)c3ccccc3)nc2[nH]1 Cc1cc(=O)n2nc(CC(=O)c3ccccc3)nc2[nH]1 is Essramycin. It has the role of metabolite . It is also related to or classified as triazolopyrimidines .
The molecule N[C@@H]1[C@H](O)C=CC=C1C(O)=O N[C@@H]1[C@H](O)C=CC=C1C(O)=O is A 2,3-dihydro-3-hydroxyanthranilic acid in which the stereocentre attached to the amino group has S-configuration, whilst that attached to the hydroxy group has R-configuration. It is also related to or classified as 2,3-dihydro-3-hydroxyanthranilic acid  .
The molecule COC(=O)[C@H](CCCC[NH3+])NC(C)=O COC(=O)[C@H](CCCC[NH3+])NC(C)=O is an organic cation that is the conjugate acid of N(alpha)-acetyl-L-lysine methyl ester, obtained by protonation of the side-chain amino group; major species at pH 7.3. Its functional parent is L-lysinium(1+) . It is a conjugate acid of N(alpha)-acetyl-L-lysine methyl ester . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule [H][C@@]12C[C@H](C)[C@H](OC(C)=O)[C@@]1(O)[C@H](OC(=O)c1ccccc1)[C@](C)(O)[C@@H](OC(C)=O)[C@@]1([H])[C@@H](OC(C)=O)[C@@](OC(=O)c3ccccc3)([C@@H](O)[C@@H](C)[C@]21O)C(C)=C [H][C@@]12C[C@H](C)[C@H](OC(C)=O)[C@@]1(O)[C@H](OC(=O)c1ccccc1)[C@](C)(O)[C@@H](OC(C)=O)[C@@]1([H])[C@@H](OC(C)=O)[C@@](OC(=O)c3ccccc3)([C@@H](O)[C@@H](C)[C@]21O)C(C)=C is Trigohownin I, (rel)-. It has the role of metabolite . It is also related to or classified as diterpenoid  .
The molecule C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)O[C@@H]2C[C@@H](O[C@@H]([C@H]2O)C)O[C@@]34[C@@H](CC5=CC6=CC(=CC(=C6C(=C5C3=O)O)O)O)[C@@H](C(=O)C(=C4O)C(=O)C)OC)O)O is a tetracenomycin that is an intermediate in the biosynthesis of the antitumour drug mithramycin by Streptomyces argillaceus. It has a role as a bacterial metabolite. It is an aromatic ketone, a cyclic ketone, an enol, an enone, an ether, a polyphenol, a tetracenomycin and a disaccharide derivative.
The molecule COc1ccc(cc1OC)[C@H]1[C@H](C)[C@H](C)C(=O)c2cc(OC)c(OC)cc12 COc1ccc(cc1OC)[C@H]1[C@H](C)[C@H](C)C(=O)c2cc(OC)c(OC)cc12 is (-)-8'-epi-aristoligone. It has the role of metabolite . It is also related to or classified as lignan  .
The molecule NC1C(O)C=CC=C1C(O)=O NC1C(O)C=CC=C1C(O)=O is an amino alcohol which is 2,3-dihydranthranilic acid in which a hydrogen at position 3 is substituted by a hydroxy group. It is also related to or classified as amino alcohol , amino acid .
The molecule C12=C(C(=C(C=C1OCC(C2=O)CC=3C=CC(=C(C3)O)OC)O)OC)O C12=C(C(=C(C=C1OCC(C2=O)CC=3C=CC(=C(C3)O)OC)O)OC)O is A homoisoflavonoid that is 2,3-dihydro-4H-chromen-4-onethat is substituted by hydroxy groups at positions 5 and 7, a methoxy group at position 6, and a 3-hydroxy-4-methoxybenzyl group at position 3. It has been isolated from various plants, including the bulb of Cremastra appendiculata. It has the role of angiogenesis modulating agent . It has the role of plant metabolite . It is also related to or classified as polyphenol , aromatic ether , homoisoflavonoid .
The molecule COC(=O)[C@H](CCCCNP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1nc(N)[nH]c2=O)NC(C)=O COC(=O)[C@H](CCCCNP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1nc(N)[nH]c2=O)NC(C)=O is an organic phosphoramidate anion obtained by removal of the proton from the phosphoramidate OH group of N(epsilon)-(5'-guanylyl)-N(alpha)-acetyl-L-lysine methyl ester; major species at pH 7.3. Its functional parent is guanosine 5'-monophosphate . It is also related to or classified as organic phosphoramidate anion .
The molecule CCCCCCCC1=CC(=CC(=O)O1)O is a 2-pyranone in which the hydrogens at positions 4 and 6 of 2H-pyran-2-one are replaced by hydroxy and heptyl groups respectively. It is a member of 2-pyranones and a heteroaryl hydroxy compound.
The molecule [H][C@@]12C[C@H](C)[C@H](OC(C)=O)[C@@]1(O)[C@H](OC(C)=O)[C@](C)(OC(=O)c1ccccc1)[C@@H](OC(C)=O)[C@@]1([H])[C@@H](OC(=O)c3ccccc3)[C@@](OC(C)=O)([C@@H](O)[C@@H](C)[C@]21O)C(C)=C [H][C@@]12C[C@H](C)[C@H](OC(C)=O)[C@@]1(O)[C@H](OC(C)=O)[C@](C)(OC(=O)c1ccccc1)[C@@H](OC(C)=O)[C@@]1([H])[C@@H](OC(=O)c3ccccc3)[C@@](OC(C)=O)([C@@H](O)[C@@H](C)[C@]21O)C(C)=C is Trigohownin H, (rel)-. It has the role of metabolite . It is also related to or classified as diterpenoid  .
The molecule C1=CC(=C(C=C1C2=C([C@H](C3=C(C=C(C=C3O2)O)O)O)O)O)O is a chromenol that is 2-(3,4-dihydroxyphenyl)-4H-1-benzopyran carrying four additional hydroxy substituents at positions 3, 4, 5 and 7. It is a chromenol, a polyphenol, a secondary allylic alcohol and an enol. It is a conjugate acid of a (4S)-2,3-dehydroleucocyanidin(1-).
The molecule CCCCCC1CC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)O1 CCCCCC1CC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)O1 is Scytonemide B. It has the role of metabolite . It is also related to or classified as cyclodepsipeptide  .
The molecule N[C@H]1[C@@H](O)C=CC=C1C(O)=O N[C@H]1[C@@H](O)C=CC=C1C(O)=O is A 2,3-dihydro-3-hydroxyanthranilic acid in which the stereocentre attached to the amino group has R-configuration, whilst that attached to the hydroxy group has S-configuration. It is also related to or classified as 2,3-dihydro-3-hydroxyanthranilic acid  .
The molecule CC/C=C\\C/C=C\\C/C=C\\CCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C is a cholesteryl ester obtained by formal condensation of the carboxy group of (11Z,14Z,17Z)-icosatrienoic acid with the 3-hydroxy group of cholesterol. It derives from an all-cis-icosa-11,14,17-trienoic acid.
The molecule NC(=O)N[C@H](CC(O)=O)C(O)=O NC(=O)N[C@H](CC(O)=O)C(O)=O is the D-enantiomer N-carbamoylaspartic acid. It is also related to or classified as N-carbamoylaspartic acid  .
The molecule [H][C@@]12C[C@H](C)[C@H](OC(C)=O)[C@@]1(O)[C@H](OC(C)=O)[C@](C)(OC(=O)c1ccccc1)[C@@H](OC(C)=O)[C@@]1([H])[C@@H](OC(C)=O)[C@@](OC(=O)c3ccccc3)([C@@H](O)[C@@H](C)[C@]21O)C(C)=C [H][C@@]12C[C@H](C)[C@H](OC(C)=O)[C@@]1(O)[C@H](OC(C)=O)[C@](C)(OC(=O)c1ccccc1)[C@@H](OC(C)=O)[C@@]1([H])[C@@H](OC(C)=O)[C@@](OC(=O)c3ccccc3)([C@@H](O)[C@@H](C)[C@]21O)C(C)=C is Trigohownin G, (rel)-. It has the role of metabolite . It is also related to or classified as diterpenoid  .
The molecule CCCCOC1=CC=C(C=C1)CC(=O)NO is a hydroxamic acid derived from phenylacetamide in which the benzene moiety is substituted at C-4 by a butoxy group. It has anti-inflammatory, analgesic, and antipyretic properties. It has a role as a non-narcotic analgesic, a non-steroidal anti-inflammatory drug and an antipyretic. It is a hydroxamic acid and an aromatic ether.
The molecule [H][C@]1(NC(=O)[C@@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)\N=C/[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC1=O)C(C)C)[C@@H](C)CC [H][C@]1(NC(=O)[C@@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)\N=C/[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC1=O)C(C)C)[C@@H](C)CC is Scytonemide A. It has the role of metabolite . It is also related to or classified as cyclic peptide .
The molecule [H][C@@]1(N\C(N[C@]1([H])C([O-])=O)=[NH+]/[C@@H]1O[C@H](CO)[C@H](OC(N)=O)[C@@H](O)[C@H]1NC(=O)C[C@@H]([NH3+])CCCNC(=O)C[C@@H]([NH3+])CCCNC(=O)C[C@@H]([NH3+])CCC[NH3+])[C@H](O)C[NH3+] [H][C@@]1(N\C(N[C@]1([H])C([O-])=O)=[NH+]/[C@@H]1O[C@H](CO)[C@H](OC(N)=O)[C@@H](O)[C@H]1NC(=O)C[C@@H]([NH3+])CCCNC(=O)C[C@@H]([NH3+])CCCNC(=O)C[C@@H]([NH3+])CCC[NH3+])[C@H](O)C[NH3+] is A primary aliphatic ammonium ion which is obtained from streptothricin D by protonation of the guanidino and amino groups and deprotonation of the carboxylic acid group. It is a conjugate acid of streptothricin D acid . It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as primary aliphatic ammonium ion  . It is also related to or classified as guanidinium ion  .
The molecule C[C@@H](O)[C@H](N)C(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 C[C@@H](O)[C@H](N)C(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 is A purine ribonucleoside 5'-monophosphate that is adenosine 5'-monophosphate in which one of the hydroxy groups of the phosphate has been condensed with the carboxylic acid group of L-threonine. Its functional parent is adenosine 5'-monophosphate . It is a conjugate acid of L-threonyl-AMP(1-) . It is also related to or classified as purine ribonucleoside 5'-monophosphate , L-threonine derivative .
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=CC(=O)CC[C@]35C is a steroid glucosiduronic acid that is epitestosterone in which the hydroxy hydrogen at position 17 has been replaced by a beta-D-glucuronyl residue. It is a 3-oxo steroid, a steroid glucosiduronic acid, an enone and a beta-D-glucosiduronic acid. It derives from an epitestosterone. It is a conjugate acid of an epitestosterone 17-O-(beta-D-glucuronide)(1-).
The molecule C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(=O)[O-])SC2=CC=CC=C2 is a monocarboxylic acid anion that is the conjugate base of zofenoprilat, obtained by deprotonation of the carboxy group. It is a conjugate base of a zofenoprilat.
The molecule [H][C@@]12C[C@H](C)[C@H](OC(C)=O)[C@@]1(O)[C@H](OC(C)=O)[C@](C)(OC(=O)c1ccccc1)[C@@H](OC(C)=O)[C@@]1([H])[C@@H](O)[C@@](OC(=O)c3ccccc3)([C@@H](O)[C@@H](C)[C@]21O)C(C)=C [H][C@@]12C[C@H](C)[C@H](OC(C)=O)[C@@]1(O)[C@H](OC(C)=O)[C@](C)(OC(=O)c1ccccc1)[C@@H](OC(C)=O)[C@@]1([H])[C@@H](O)[C@@](OC(=O)c3ccccc3)([C@@H](O)[C@@H](C)[C@]21O)C(C)=C is Trigohownin F, (rel)-. It has the role of metabolite . It is also related to or classified as diterpenoid  .
The molecule C1=CC2=C(C=C1O)OC=C(C2=O)C3=C(C=C(C=C3)Cl)Cl is a member of the class of 7-hydroxyisoflavones that is 3-phenyl-4H-chromen-4-one which is substituted by a hydroxy group at position 7 and chloro groups at positions 2' and 4'. It is a SIRT1 activator. It is a member of 7-hydroxyisoflavones and a dichlorobenzene.
The molecule Cc1sc(nc1C(N)=O)-c1ccccc1O Cc1sc(nc1C(N)=O)-c1ccccc1O is Pulicatin E. It has the role of metabolite . It is also related to or classified as 1,3-thiazoles , aromatic amide .
The molecule [H][C@@]1(N\C(N[C@]1([H])C([O-])=O)=[NH+]/[C@@H]1O[C@H](CO)[C@H](OC(N)=O)[C@@H](O)[C@H]1NC(=O)C[C@@H]([NH3+])CCC[NH3+])[C@H](O)C[NH3+] [H][C@@]1(N\C(N[C@]1([H])C([O-])=O)=[NH+]/[C@@H]1O[C@H](CO)[C@H](OC(N)=O)[C@@H](O)[C@H]1NC(=O)C[C@@H]([NH3+])CCC[NH3+])[C@H](O)C[NH3+] is A primary aliphatic ammonium ion which is obtained from streptothricin F by protonation of the guanidino and amino groups and deprotonation of the carboxylic acid group. It is a conjugate acid of streptothricin F acid . It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as primary aliphatic ammonium ion  . It is also related to or classified as guanidinium ion  .
The molecule C[C@@H](O)[C@H](N)C(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 C[C@@H](O)[C@H](N)C(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 is an organophosphate oxoanion obtained by removal of the proton from the phosphate group of L-threonyl-AMP. Its functional parent is adenosine 5'-monophosphate . It is also related to or classified as organophosphate oxoanion .
The molecule [C@@H]([C@H](C(=O)[O-])O)(C(=O)O)O is a tartrate(1-). It is a conjugate base of a L-tartaric acid. It is a conjugate acid of a L-tartrate(2-). It is an enantiomer of a D-tartrate(1-).
The molecule CSCCCCCC(C(=O)O)N is a sulfur-containing amino acid consisting of 2-aminoheptanoic acid having a methylthio substituent at the 7-position. It is a sulfur-containing amino acid, a non-proteinogenic alpha-amino acid and a methyl sulfide. It is a tautomer of a trihomomethionine zwitterion.
The molecule [H][C@]12OC3(C)O[C@]1([C@@H](OC(=O)c1ccccc1)[C@@H](C)[C@]1(O3)[C@]3([H])C[C@H](C)[C@H](OC(C)=O)[C@@]3(O)[C@H](OC(=O)c3ccccc3)[C@](C)(O)[C@@H](OC(C)=O)[C@@]21[H])C(C)=C [H][C@]12OC3(C)O[C@]1([C@@H](OC(=O)c1ccccc1)[C@@H](C)[C@]1(O3)[C@]3([H])C[C@H](C)[C@H](OC(C)=O)[C@@]3(O)[C@H](OC(=O)c3ccccc3)[C@](C)(O)[C@@H](OC(C)=O)[C@@]21[H])C(C)=C is Trigohownin E, (rel)-. It has the role of metabolite . It is also related to or classified as diterpenoid  .