anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O(C[C@H](COP(O)(=O)OC[C@H](COC(CCCCCCC/C=C\CCCCCCCC)=O)O)OC(CCCCCCC/C=C\CCCCCCCC)=O)C(CCCCCCC/C=C\CCCCCCCC)=O O(C[C@H](COP(O)(=O)OC[C@H](COC(CCCCCCC/C=C\CCCCCCCC)=O)O)OC(CCCCCCC/C=C\CCCCCCCC)=O)C(CCCCCCC/C=C\CCCCCCCC)=O is A member of the class of glycerophosphoglycerols that is sn-glycero-3-phospho-(1'-sn-glycerol) in which the hydroxy hydrogens at positions 1, 2 and 3' have been replaced by oleoyl groups. Its functional parent is oleic acid . It is a conjugate acid of 1,2-dioleoyl-sn-glycero-3-phospho-1'-(3'-oleoyl)-sn-glycerol(1-) . It is also related to or classified as glycerophosphoglycerols .
The molecule C(CC[NH2+]CCC[NH2+]CCC[NH3+])C[NH3+] is tetraanion of thermospermine arising from protonation of all four amino groups; major species at pH 7.3. It is a conjugate acid of a thermospermine.
The molecule CC1=CC2=C(O1)C(=O)C(=CC2=O)OC is a member of the class of 1-benzofurans that is 1-benzofuran-4,7-dione bearing additional methyl and methoxy substituents at positions 2 and 7 respectively. It is a member of 1-benzofurans and a member of p-quinones.
The molecule CNC(=O)/C(=N/OC)/C1=CC=CC=C1OC2=CC=CC=C2 is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2E)-(methoxyimino)(2-phenoxyphenyl)acetic acid with the amino group of methylamine. Used for the control of Pyricularia oryzae on rice crops. It has a role as a mitochondrial cytochrome-bc1 complex inhibitor and an antifungal agrochemical. It is an oxime O-ether, a monocarboxylic acid amide, an aromatic ether, an amide fungicide and a methoxyiminoacetamide strobilurin antifungal agent.
The molecule [C@@]12([C@]3(C(=CCC1)C)CCC2C(C3)(C)C)C [C@@]12([C@]3(C(=CCC1)C)CCC2C(C3)(C)C)C is alpha-neoclovene. It has the role of volatile oil component . It has the role of plant metabolite . It is also related to or classified as an alpha-neoclovene  .  It is also related to or classified as sesquiterpene  . It is also related to or classified as polycyclic olefin , carbotricyclic compound .
The molecule NC(=O)c1ccc(cc1)C(O)=O NC(=O)c1ccc(cc1)C(O)=O is A dicarboxylic acid monoamide resulting from the formal condensation of one of the carboxy groups of terephthalic acid with ammonia. Its functional parent is terephthalic acid . It is also related to or classified as dicarboxylic acid monoamide , carbamoylbenzoic acid .
The molecule [H]C(=N)N[C@@H](CCC([O-])=O)C([O-])=O [H]C(=N)N[C@@H](CCC([O-])=O)C([O-])=O is A dicarboxylic acid anion resuting from removal of a proton from both carboxy groups of N-formimidoyl-L-glutamic acid. It has the role of human metabolite . Its functional parent is L-glutamate(2-) . It is also related to or classified as dicarboxylic acid dianion  . It is also related to or classified as alpha-amino-acid anion .
The molecule C=12OC(=CC(C1C(=C(C(=C2)[O-])O)O)=O)C3=CC=C(C=C3)OC C=12OC(=CC(C1C(=C(C(=C2)[O-])O)O)=O)C3=CC=C(C=C3)OC is major species at pH 7.3. It is also related to or classified as flavonoid oxoanion .
The molecule C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)[C@@H](C[C@]34C)F is an androstanoid that is androst-4-ene substituted by an alpha-fluoro group at position 2 and a beta-hydroxy group at position 17. It is a 3-oxo-Delta(4) steroid, a 17beta-hydroxy steroid, a fluorinated steroid and an androstanoid. It derives from a testosterone.
The molecule C[C@]12C[C@H]3[C@H](O3)[C@]4([C@@H]1[C@@H]([C@@H]5[C@]6(C2=CC(=O)O[C@@H]6[C@](C)(CS(=O)(=O)C)O)O5)OC4=O)C is a diterpenoid that is a organic heterohexacyclic compound consisting of lactone and epoxide ring systems. It is isolated from Podocarpus macrophyllus. It has a role as a metabolite. It is a diterpenoid, a gamma-lactone, a delta-lactone, an epoxide, a sulfone, a tertiary alcohol and an organic heterohexacyclic compound.
The molecule CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)O is a 1,3-diglyceride in which both acyl groups are specified as octanoyl. It has a role as a Brassica napus metabolite and an excipient. It derives from an octanoic acid.
The molecule C([C@H](C=O)O)S(=O)(=O)O is a 3-sulfolactaldehyde in which the stereocentre at position 3 has R-configuration. It is a conjugate acid of a L-3-sulfolactaldehyde(1-).
The molecule C1=CC=CC(=C1C(=O)O)C=2OC(=CC2)/C=C/3\C(N(N=C3C4=CC=CC=C4)C5=CC=C(C=C5)C(C)(C)C)=O C1=CC=CC(=C1C(=O)O)C=2OC(=CC2)/C=C/3\C(N(N=C3C4=CC=CC=C4)C5=CC=C(C=C5)C(C)(C)C)=O is 2-[5-[(Z)-[1-(4-Tert-butylphenyl)-5-oxo-3-phenylpyrazol-4-ylidene]methyl]furan-2-yl]benzoic acid. It has the role of anticoronaviral agent . It is also related to or classified as diarylheptanoid .
The molecule [H]C(=O)N[C@@H](CCC([O-])=O)C([O-])=O [H]C(=O)N[C@@H](CCC([O-])=O)C([O-])=O is A doubly-charged N-acyl-L-alpha-amino acid anion resulting from deprotonation of both carboxy groups of N-formyl-L-glutamic acid. Its functional parent is L-glutamate(2-) . It is also related to or classified as dicarboxylic acid dianion  . It is also related to or classified as N-acyl-L-alpha-amino acid anion  .
The molecule [H]C(=O)N[C@@H](CC([O-])=O)C([O-])=O [H]C(=O)N[C@@H](CC([O-])=O)C([O-])=O is A doubly-charged N-acyl-L-alpha-amino acid anion resulting from deprotonation of both carboxy groups of N-formyl-L-aspartic acid. Its functional parent is L-aspartate(2-) . It is also related to or classified as dicarboxylic acid dianion  . It is also related to or classified as N-acyl-L-alpha-amino acid anion  .
The molecule CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)C(=O)C3=NC=CN=C3)C CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)C(=O)C3=NC=CN=C3)C is N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyrazinyl)methyl]-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 Cc1ccc(cc1)C(=O)Oc1ccc(cc1OC(=O)c1ccc(C)cc1)C(O)CNC(C)(C)C Cc1ccc(cc1)C(=O)Oc1ccc(cc1OC(=O)c1ccc(C)cc1)C(O)CNC(C)(C)C is the di-4-toluate ester of (+-)-N-tert-butylnoradrenaline (colterol). A pro-drug for colterol, a beta2-adrenergic receptor agonist, bitolterol is used as its methanesulfonate salt for relief of bronchospasm in conditions such as asthma, chronic bronchitis and emphysema. It has the role of beta-adrenergic agonist . It has the role of bronchodilator agent . It has the role of anti-asthmatic drug . It has the role of prodrug .  It is also related to or classified as carboxylic ester  . It is also related to or classified as secondary alcohol  .  It is also related to or classified as diester  . It is also related to or classified as ethanolamines , secondary amino compound .
The molecule CN(CC[C@H](N)CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(O)=O)n1ccc(N)nc1=O)C(N)=N CN(CC[C@H](N)CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(O)=O)n1ccc(N)nc1=O)C(N)=N is A blasticidin that is an antibiotic obtained from Streptomyces griseochromogene. It has the role of fungicide . It has the role of antimicrobial agent . It has the role of protein synthesis inhibitor . It has the role of bacterial metabolite . It is also related to or classified as blasticidin , antibiotic antifungal agent .
The molecule C1=C(C=C(C=C1O)OC2=C(C=C(C3=C2OC4=C(C=C(C=C4O3)OC5=C(C=C(C=C5O)O)O)O)O)O)O is a phlorotannin that is eckol in which the hydroxy group at position 7 is replaced by a 2,4,6-trihydroxyphenoxy group. Isolated from the marine brown alga, Ecklonia cava, it exhibits antioxidant activity. It has a role as a metabolite, an antioxidant and an EC 3.1.1.3 (triacylglycerol lipase) inhibitor. It is a phlorotannin and an aromatic ether. It derives from an eckol and a phloroglucinol.
The molecule CC(CCCCCCCCCCCCCCCCCCC(=O)O)O is an (omega-1)-hydroxy fatty acid that is henicosanoic acid in which one of the hydrogens at position 20 has been replaced by a hydroxy group. It is an (omega-1)-hydroxy fatty acid, a long-chain fatty acid, a secondary alcohol and a straight-chain saturated fatty acid. It derives from a henicosanoic acid. It is a conjugate acid of a 20-hydroxyhenicosanoate.
The molecule CC(CC(C(=O)O)N)C(F)(F)F is a leucine derivative in which one of its methyl groups is replaced by trifluoromethyl. It is a leucine derivative, an organofluorine compound and a non-proteinogenic alpha-amino acid. It derives from a leucine.
The molecule O1C(C(O)C(O)C(O)C1OC2=C(OC3OC(C(O)C(O)C3O)CO)C=CC(C4OC=5C(CC4O)=C(O)C=C(O)C5)=C2)CO O1C(C(O)C(O)C(O)C1OC2=C(OC3OC(C(O)C(O)C3O)CO)C=CC(C4OC=5C(CC4O)=C(O)C=C(O)C5)=C2)CO is Catechin 3',4'-diglucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule O1C2=C(C(C=C1C)=O)C(=C3C(=CC(=CC3=C2)OC)O)[O-] O1C2=C(C(C=C1C)=O)C(=C3C(=CC(=CC3=C2)OC)O)[O-] is A phenolate anion obtained by deprotonation of the 5-hydroxy group of rubrofusarin. It is the major microspecies at pH 7.3. It is also related to or classified as phenolate anion .
The molecule COC1=CC=CC=C1NC(=O)N2CCCCN3[C@H](C2)[C@@H]([C@H]3CO)C4=CC=C(C=C4)C5=CC=CC(=C5)C#N COC1=CC=CC=C1NC(=O)N2CCCCN3[C@H](C2)[C@@H]([C@H]3CO)C4=CC=C(C=C4)C5=CC=CC(=C5)C#N is (8S,9S,10S)-9-[4-(3-cyanophenyl)phenyl]-10-(hydroxymethyl)-N-(2-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide. It is also related to or classified as nitrile  . It is also related to or classified as biphenyls .
The molecule C1=CC=C(C=C1)S(=O)(=O)NCC23C=CC(O2)C4C3C(=O)N(C4=O)C5=CC=C(C=C5)Cl C1=CC=C(C=C1)S(=O)(=O)NCC23C=CC(O2)C4C3C(=O)N(C4=O)C5=CC=C(C=C5)Cl is N-[[2-(4-chlorophenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]benzenesulfonamide. Its functional parent is delta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC=C([NH3+])C([O-])=O CC=C([NH3+])C([O-])=O is an amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 2-aminobut-2-enoic acid; major species at pH 7.3. It is a conjugate acid of 2-aminobut-2-enoate . It is also related to or classified as amino-acid zwitterion .
The molecule [H][C@@]12CC[C@H](C)C[C@@]1([H])[C@@H](CC[C@@H]2C)C(C)C [H][C@@]12CC[C@H](C)C[C@@]1([H])[C@@H](CC[C@@H]2C)C(C)C is A sesquiterpene consisting of decalin having two methyl substituents at the 1- and 6-positions, an isopropyl substituent at the 4-position and (1S,4S,4aS,6S,8aS)-configuration. It is also related to or classified as sesquiterpene  . It is also related to or classified as terpenoid fundamental parent .
The molecule [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@H]2/C(/[C@](C(=CO2)C(=O)OC)([H])CC(=O)OCCC=3C=CC(=C(C3)O)O)=C/C [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@H]2/C(/[C@](C(=CO2)C(=O)OC)([H])CC(=O)OCCC=3C=CC(=C(C3)O)O)=C/C is A secoiridoid glycoside that is the methyl ester of 3,4-dihydro-2H-pyran-5-carboxylic acid which is substituted at positions 2, 3, and 4 by hydroxy, ethylidene, and carboxymethyl groups, respectively and in which the anomeric hydroxy group at position 2 has been converted into its beta-D-glucoside and the carboxylic acid moiety of the carboxymethyl substituent has been converted to the corresponding 3,4-dihydroxyphenethyl ester (the 2S,3E,4S stereoisomer). The most important phenolic compound present in olive cultivars. It has the role of antioxidant . It has the role of antineoplastic agent . It has the role of antihypertensive agent . It has the role of radical scavenger . It has the role of nutraceutical . It has the role of anti-inflammatory agent . It has the role of apoptosis inducer . It has the role of NF-kappaB inhibitor . It has the role of plant metabolite . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as methyl ester  .  It is also related to or classified as catechols  .  It is also related to or classified as diester  . It is also related to or classified as pyrans , secoiridoid glycoside .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\\CCCCCCCC is a 1,3-diglyceride with both acyl groups specified as oleoyl. It is a 1,3-diglyceride, a dioleoylglycerol and a diacylglycerol (18:1/0:0/18:1). It derives from an oleic acid.
The molecule C1=CC2=C(C(=C1)O)C(=O)O[C@@H]2[C@@H](C3=CC=C(C=C3)O)O is an isobenzofuranone that is 2-benzofuran-1(3H)-one substituted by a hydroxy group at position 7 and a (R)-hydroxy(4-hydroxyphenyl)methyl group at position 3. It has been isolated from the roots of Scorzonera judaica. It has a role as a plant metabolite. It is an isobenzofuranone, a gamma-lactone, a member of phenols and a secondary alcohol.
The molecule N#[O+] is a monovalent inorganic cation resulting from the removal of the unpaired electron from nitric oxide. It is a nitrogen oxide and a monovalent inorganic cation.
The molecule [H]C12CC3(C)C(=O)C4(C)CC5C(=O)OCC35C1(CCC1([H])C2(C)C=CC(=O)OC1(C)C)C4 [H]C12CC3(C)C(=O)C4(C)CC5C(=O)OCC35C1(CCC1([H])C2(C)C=CC(=O)OC1(C)C)C4 is A meroterpenoid with formula C25H32O5. It is isolated from the fungus Aspergillus stellatus. It has the role of marine metabolite . It has the role of Aspergillus metabolite . It is also related to or classified as gamma-lactone  . It is also related to or classified as cyclic ketone , epsilon-lactone , organic heterohexacyclic compound , meroterpenoid .
The molecule CSCC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CS)C(O)=O CSCC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CS)C(O)=O is A tetrapeptide composed of L-aspartic acid, two L-methionine units, and a L-cysteine joined in sequence by peptide linkages. Its functional parent is L-methionine . Its functional parent is L-aspartic acid . Its functional parent is L-cysteine . It is also related to or classified as tetrapeptide  .
The molecule COC1=CC=C(C=C1)C=CC(=O)NC2=CC=CC=C2C(=O)O COC1=CC=C(C=C1)C=CC(=O)NC2=CC=CC=C2C(=O)O is 2-[[3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid. Its functional parent is anthranilic acid . It is also related to or classified as secondary carboxamide  . It is also related to or classified as cinnamamides , amidobenzoic acid .
The molecule C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 is an antifungal macrolactone antibiotic, obtained from Diheterospora chlamydosporia and Chaetomium chiversii that inhibits protein tyrosine kinase and heat shock protein 90 (Hsp90). It has the role of metabolite . It has the role of antifungal agent . It has the role of tyrosine kinase inhibitor .  It is also related to or classified as epoxide  . It is also related to or classified as phenols  .  It is also related to or classified as enone  . It is also related to or classified as macrolide antibiotic , cyclic ketone , monochlorobenzenes .
The molecule [H][C@]1(C[C@@H]2CC[N@H+]1C[C@]2(O)C=C)[C@H](O)c1ccnc2ccc(OC)cc12 [H][C@]1(C[C@@H]2CC[N@H+]1C[C@]2(O)C=C)[C@H](O)c1ccnc2ccc(OC)cc12 is an organic cation that is the conjugate acid of 3-hydroxyquinine, formed via protonation of the tertiary amino group; major species at pH 7.3. It is a conjugate acid of 3-hydroxyquinine . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)CC3=CC(=CC=C3)F)C CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)CC3=CC(=CC=C3)F)C is N-[(4S,7R,8S)-5-[(3-fluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule OC[C@H](O)[C-]1OC(=O)C(=O)C1=O OC[C@H](O)[C-]1OC(=O)C(=O)C1=O is an organic anion and the conjugate base of L-dehydroascorbic acid, arising from deprotonation of the acidic C2-position. It is also related to or classified as organic anion .
The molecule NC(=O)NC(N)=O NC(=O)NC(N)=O is A member of the class of condensed ureas that is the compound formed by the condensation of two molecules of urea; the parent compound of the biuret group of compounds. Used as a non-protein nitrogen source in ruminant feed. It is also related to or classified as condensed ureas .
The molecule CC(C)C1=CC=C(C=C1)C(=O)[O-] is a cumate that is the conjugate base of p-cumic acid. It has a role as a plant metabolite. It is a conjugate base of a p-cumic acid.
The molecule C[N+]1(CCC2=CC(=C(C=C2[C@@H]1CC3=CC(=C(C=C3)OC)O)O)OC)C is a tembetarine obtained by methylation of the tertiary amino function of (R)-reticuline. It has a role as a plant metabolite. It is a benzylisoquinoline alkaloid and a tembetarine. It derives from a (S)-reticuline. It is an enantiomer of a (R)-tembetarine.
The molecule CC(C)CCCCCCCCNS(=O)(=O)O is a member of the class of sulfamic acids that is sulfamic acid in which one of the amino hydrogens has been replaced by a (9-methyldecyl) group. It has a role as a kairomone and a Daphnia pulex metabolite. It is a conjugate acid of a (9-methyldecyl)sulfamate.
The molecule C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 is A sesquiterpene lactone obtained from sweet wormwood, Artemisia annua, which is used as an antimalarial for the treatment of multi-drug resistant strains of falciparum malaria. It has the role of antimalarial . It has the role of plant metabolite . It is also related to or classified as organic peroxide , sesquiterpene lactone .
The molecule CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)N)C3=CC=CC=C3C CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)N)C3=CC=CC=C3C is 5-amino-3-(2-methylphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester. It is also related to or classified as organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule C1=CC=C(C(C(C[C@@H](C(=O)O)N)=O)=C1)NC(=O)[H] C1=CC=C(C(C(C[C@@H](C(=O)O)N)=O)=C1)NC(=O)[H] is N-formyl-L-kynurenine. It has the role of mouse metabolite . It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . Its functional parent is L-kynurenine . It is also related to or classified as N-formylkynurenine  . It is also related to or classified as non-proteinogenic L-alpha-amino acid , non-proteinogenic amino acid derivative .
The molecule CCCCC[C@H]1CCC(=O)O1 CCCCC[C@H]1CCC(=O)O1 is gamma-nonanolactone. Its functional parent is nonanoic acid . It is also related to or classified as butan-4-olide .
The molecule [C@@H]1(/C=C/[C@@H](O)CCCCC)[C@H]([C@@H](C[C@H]1O)O)C/C=C\CCCC([O-])=O [C@@H]1(/C=C/[C@@H](O)CCCCC)[C@H]([C@@H](C[C@H]1O)O)C/C=C\CCCC([O-])=O is A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin F2beta, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as prostaglandin carboxylic acid anion .
The molecule C(\CCC=C(C)C)(=C/COC(C=1C=CC=CC1)=O)/C C(\CCC=C(C)C)(=C/COC(C=1C=CC=CC1)=O)/C is A benzoate ester resulting from the formal condensation of the carboxy group of benzoic acid with the hydroxy group of geraniol. It has the role of fragrance . It has the role of plant metabolite . Its functional parent is geraniol . Its functional parent is benzoic acid . It is also related to or classified as monoterpenoid , benzoate ester , olefinic compound .
The molecule OC[C@@H](COP(O)(=O)OC[C@H](CO)O)OC(CCCCCCC/C=C\CCCCCCCC)=O OC[C@@H](COP(O)(=O)OC[C@H](CO)O)OC(CCCCCCC/C=C\CCCCCCCC)=O is A member of the class of glycerophosphoglycerols obtained by formal condensation of the carboxy group of oleic acid with one of the secondary hydroxy groups of (S,S)-glycero-1-phospho-1'-glycerol. Its functional parent is oleic acid . It is a conjugate acid of (S,S)-2-oleoylglycero-1-phospho-1'-glycerol(1-) . It is also related to or classified as glycerophosphoglycerols .
The molecule C1=C(NC=N1)C[C@@H](C(=O)[O-])NC(=O)CCN is an N-acyl-L-alpha-amino acid anion that is the conjugate base of carnosine, obtained by deprotonation of the carboxy group. It is a conjugate base of a carnosine and a carnosine zwitterion.
The molecule C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)[NH3+])O is a nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups and protonation of the amino group of dTDP-3-amino-3,6-dideoxy-alpha-D-galactopyranose; major microspecies at pH 7.3. It is a conjugate base of a dTDP-3-amino-3,6-dideoxy-alpha-D-galactopyranose.
The molecule C1=CC(=C(C(=C1C(=O)O)C(=O)O)[O-])[O-] is dicarboxylate anion of 3,4-dihydroxyphthalic acid; major species at pH 7.3. It derives from a phthalate(2-). It is a conjugate base of a 3,4-dihydroxyphthalic acid.
The molecule OC(CCCCCCCCCCC)CC(=O)CCC1=CC(OC)=C(O)C=C1 OC(CCCCCCCCCCC)CC(=O)CCC1=CC(OC)=C(O)C=C1 is [12]-Gingerol.  It is also related to or classified as phenols  . It is also related to or classified as monomethoxybenzene , beta-hydroxy ketone .
The molecule [Cl-].O1[C@@H](OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC(O)=C(O)C(O)=C4)[C@H](O)[C@@H](O)[C@@H](O)C1 [Cl-].O1[C@@H](OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC(O)=C(O)C(O)=C4)[C@H](O)[C@@H](O)[C@@H](O)C1 is delphinidin-3-O-arabinoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CC1=CC=C(C=C1)C=CC(=O)N2CCC3=CC=CC=C3C2 CC1=CC=C(C=C1)C=CC(=O)N2CCC3=CC=CC=C3C2 is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylphenyl)-2-propen-1-one. Its functional parent is cinnamic acid . It is also related to or classified as olefinic compound .
The molecule C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O is a deoxy hexoside, an anthracycline, an anthracycline antibiotic, an aminoglycoside, a member of tetracenequinones, a member of p-quinones, a primary alpha-hydroxy ketone and a tertiary alpha-hydroxy ketone. It has a role as an Escherichia coli metabolite. It is a conjugate base of a doxorubicin(1+). It derives from a hydride of a tetracene.
The molecule OC[C@@H](COP(O)(=O)OC[C@H](CO)OC(CCCCCCC/C=C\CCCCCCCC)=O)OC(CCCCCCC/C=C\CCCCCCCC)=O OC[C@@H](COP(O)(=O)OC[C@H](CO)OC(CCCCCCC/C=C\CCCCCCCC)=O)OC(CCCCCCC/C=C\CCCCCCCC)=O is A 1,1'-lysobisphosphatidic acid in which both acyl groups are specified as oleoyl. Its functional parent is oleic acid . It is a conjugate acid of (S,S)-bis-(2-oleoylglycero)-1-phosphate(1-) . It is also related to or classified as 1,1'-lysobisphosphatidic acid  .
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)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O is a glucotriose consisting of alpha-D-glucopyranose in which the hydroxy groups at 2 and 3 have each been converted into the corresponding beta-D-glucopyranosyl derivatives.
The molecule C/C/1=C\\C[C@H]2[C@H](C/C(=C/CC1)/C)OC(=O)C2=C is a germacranolide that is (3aR,5E,9E,11aS)-2,3,3a,4,7,8,11,11a-octahydrocyclodeca[b]furan substituted by an oxo group, methylidene group, methyl group and methyl group at positions 2,3,6 and 10, respectively. It has a role as a plant metabolite. It derives from an 8alpha-hydroxygermacra-1(10),4,11(13)-trien-12-oate.
The molecule C1=CC(=CC=C1C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O is a dipeptide composed of L-glutamic acid and L-tyrosine joined by a peptide linkage. It has a role as a human metabolite. It is a dipeptide, a secondary carboxamide, a dicarboxylic acid, a primary amino compound and a member of phenols. It derives from a L-glutamic acid and a L-tyrosine. It is a conjugate acid of a gamma-Glu-Tyr(1-).
The molecule CCCCC[C@@H](O)CC(O)=O CCCCC[C@@H](O)CC(O)=O is the (R)-enantiomer of 3-hydroxyoctanoic acid; an important building block in the biomedical and pharmaceutical fields. It is also related to or classified as 3-hydroxyoctanoic acid  . It is also related to or classified as (3R)-3-hydroxy fatty acid  .
The molecule CC1=CC(=CC/2=C1NC=C(\C2=N\C=3C=CC=C(C3)OC)C(=N)O)S(C4=CC=CC(=C4)C(NC5=CC=C(C#CCCCNC[C@](C=6C=CC(=C7C6C=CC(=N7)O)O)([H])O)C=C5)=O)(=O)=O CC1=CC(=CC/2=C1NC=C(\C2=N\C=3C=CC=C(C3)OC)C(=N)O)S(C4=CC=CC(=C4)C(NC5=CC=C(C#CCCCNC[C@](C=6C=CC(=C7C6C=CC(=N7)O)O)([H])O)C=C5)=O)(=O)=O is gS-5759, a novel bifunctional phosphodiesterase 4 inhibitor and long-acting beta 2-adrenoceptor agonist in preclinical animal species. It is also related to or classified as organic molecular entity .