anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C(CCCCCCCC)CCCCCCC[C@H](C([O-])=O)O C(CCCCCCCC)CCCCCCC[C@H](C([O-])=O)O is A 2-hydroxyoctadecanoate that has R configuration. The conjugate base of (R)-2-hydroxyoctadecanoic acid. It is also related to or classified as 2-hydroxyoctadecanoate  .
The molecule NC(=O)CCCCC NC(=O)CCCCC is A fatty amide of hexanoic acid. Its functional parent is hexanoic acid . It is also related to or classified as primary fatty amide  . It is also related to or classified as primary carboxamide  .
The molecule CCCCCC1OC1C\C=C/C\C=C/C\C=C/CCCC(O)=O CCCCCC1OC1C\C=C/C\C=C/C\C=C/CCCC(O)=O is an EET obtained by formal epoxidation of the 14,15-double bond of arachidonic acid. It has the role of mouse metabolite . It is a conjugate acid of 14,15-EET(1-) . It is also related to or classified as EET .
The molecule C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)C2=CC=CC=C2 is an N-acyl-L-phenylalanine that is L-phenylalanine in which one of the hydrogens of the amino group has been replaced by a benzoyl group. It is a N-acyl-L-phenylalanine and a 2-(benzoylamino)-3-phenylpropanoic acid. It is a conjugate acid of a N-benzoyl-L-phenylalaninate. It is an enantiomer of a N-benzoyl-D-phenylalanine.
The molecule NC(=O)CCCCCCC NC(=O)CCCCCCC is A fatty amide resulting from the formal condensation of octanoic acid with ammonia. Its functional parent is octanoic acid . It is also related to or classified as primary fatty amide  . It is also related to or classified as primary carboxamide  .
The molecule [Br-].[H]O[H].[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)c1ccccc1)[N@+]2(C)C(C)C [Br-].[H]O[H].[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)c1ccccc1)[N@+]2(C)C(C)C is the monohydrate form of ipratropium bromide. An anticholinergic drug, ipratropium bromide blocks the muscarinic cholinergic receptors in the smooth muscles of the bronchi in the lungs. This opens the bronchi, so providing relief in chronic obstructive pulmonary disease and acute asthma. It has the role of bronchodilator agent . It has the role of muscarinic antagonist . It is also related to or classified as hydrate .
The molecule C[C@H](C1=CC=C(C=C1)CC(C)C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)([O-])[O-])O is an acyl-CoA(4-) resulting from the removal of all four protons from the phosphate and diphosphate groups of (2R)-ibuprofenoyl-CoA; major species at pH 7.3.
The molecule O[C@H](CCC(O)=O)C(O)=O O[C@H](CCC(O)=O)C(O)=O is the (R)-enantiomer of 2-hydroxyglutaric acid. It has the role of biomarker . It has the role of human metabolite . It has the role of algal metabolite . It is a conjugate acid of (R)-2-hydroxyglutarate(2-) . It is also related to or classified as 2-hydroxyglutaric acid  .
The molecule CCCCCCCC(=O)NCC(O)=O CCCCCCCC(=O)NCC(O)=O is an N-acylglycine that has octanoyl as the acyl group. It has the role of metabolite . Its functional parent is glycine . Its functional parent is octanoic acid . It is a conjugate acid of N-octanoylglycinate . It is also related to or classified as N-acylglycine  . It is also related to or classified as fatty amide .
The molecule O=C1N2[C@H](C(=O)O[C@H]([C@@H](C[C@H]3[C@H](O)[C@@H](OC)[C@H](O)CC3)C)CC[C@@H](C=CCCC=CC([C@@H]([C@H]4O[C@](C1=O)(O)[C@@H](CC4)C)C)=O)C)CCCC2 O=C1N2[C@H](C(=O)O[C@H]([C@@H](C[C@H]3[C@H](O)[C@@H](OC)[C@H](O)CC3)C)CC[C@@H](C=CCCC=CC([C@@H]([C@H]4O[C@](C1=O)(O)[C@@H](CC4)C)C)=O)C)CCCC2 is Antascomicin C. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule CCCCCCCCCCCCCCC[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)NC(=O)CCCCCCCCCCCCCCC)O is a beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphinganine in which the acyl group specified is hexadecanoyl. It has a role as a mouse metabolite. It is a beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphinganine and a glycosyl-N-hexadecanoylsphinganine.
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@]5([C@H]([C@@H]4CC=C3C2)CC[C@@H]5[C@H](C)CC[C@@H](CC)C(C)C)C)C)O)O)O is a steroid saponin that is sitosterol attached to a 6-O-hexadecanoyl-beta-D-glucopyranosyl residue at position 3 via a glycosidic linkage. It has been isolated from Breynia fruticosa. It has a role as a plant metabolite. It is a fatty acid ester, a steroid saponin, a beta-D-glucoside and a monosaccharide derivative. It derives from a hexadecanoic acid and a sitosterol. It derives from a hydride of a stigmastane.
The molecule C(CCCCCC(NCC(=O)[O-])=O)C C(CCCCCC(NCC(=O)[O-])=O)C is an N-acylglycinate resulting from the deprotonation of the carboxy group of N-octanoylglycine. The conjugate base of N-octanoylglycine; major species at pH 7.3. It is also related to or classified as N-(fatty acyl)-glycine(1-)  . It is also related to or classified as N-acylglycinate  .
The molecule C(=C/[C@]1([C@](C/C=C\CCCCC)(O1)[H])[H])\[C@H](C/C=C\CCCC(=O)O)O C(=C/[C@]1([C@](C/C=C\CCCCC)(O1)[H])[H])\[C@H](C/C=C\CCCC(=O)O)O is A hepoxilin A3 in which the stereocentre at position 8 has S-configuration. It is a conjugate acid of (8S)-hepoxilin A3(1-) . It is also related to or classified as hepoxilin A3  .
The molecule CC[C@@H](C)[C@@H]([NH3+])C(O)=O CC[C@@H](C)[C@@H]([NH3+])C(O)=O is the D-enantiomer of isoleucinium. It has the role of Saccharomyces cerevisiae metabolite . It has the role of bacterial metabolite . It is a conjugate acid of D-isoleucine . It is also related to or classified as isoleucinium  .
The molecule CC[C@H](C)[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCCCC[C@@H](C(=O)N[C@@H](C(=O)N1)CCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSC(=N2)[C@H]([C@@H](C)CC)N)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4 is a homodetic cyclic peptide consisting of (4R)-2-[(1S,2S)-1-amino-2-methylbutyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid attached head-to-tail to L-leucyl,D-glutamyl, L-lysyl, D-ornityl, L-isoleucyl, D-phenylalanyl, L-histidyl. D-aspartyl and L-asparaginyl residues coupled in sequence and cyclised by condensation of the side-chain amino group of the L-lysyl residue with the C-terminal carboxylic acid group. It is the major component of bacitracin. It has a role as an antibacterial agent and an antimicrobial agent. It is a homodetic cyclic peptide and a polypeptide.
The molecule CCCCCCCCCC(=O)NCC(O)=O CCCCCCCCCC(=O)NCC(O)=O is an N-acylglycine with an acyl group that is decanoyl. It has the role of metabolite . Its functional parent is decanoic acid . It is a conjugate acid of N-decanoylglycinate . It is also related to or classified as N-acylglycine  .  It is also related to or classified as secondary carboxamide  . It is also related to or classified as fatty amide .
The molecule [H]C(=CC([H])=C1Cc2cc(ccc2N1CCS(O)(=O)=O)S(O)(=O)=O)C(C)=C([H])C=C([H])C1=[N+](CCS(O)(=O)=O)c2ccc(cc2C1)S([O-])(=O)=O [H]C(=CC([H])=C1Cc2cc(ccc2N1CCS(O)(=O)=O)S(O)(=O)=O)C(C)=C([H])C=C([H])C1=[N+](CCS(O)(=O)=O)c2ccc(cc2C1)S([O-])(=O)=O is A C7-cyanine dye having symmetrically-substituted 2-indolyl units at each end. It has the role of fluorochrome . Its functional parent is C7-indocyanine . It is also related to or classified as cyanine dye .
The molecule [H][C@@]1(C\C=C/CCCCC)O[C@@]1([H])\C=C\C(O)C\C=C/CCCC(O)=O [H][C@@]1(C\C=C/CCCCC)O[C@@]1([H])\C=C\C(O)C\C=C/CCCC(O)=O is A hepoxilin having (5Z,9E,14Z) double bond stereochemistry, an 8-hydroxy substituent and an 11S,12S-epoxy group. It has the role of human xenobiotic metabolite . It has the role of rat metabolite . Its functional parent is (5Z,9E,14Z)-icosa-5,9,14-trienoic acid . It is a conjugate acid of hepoxilin A3(1-) .    It is also related to or classified as long-chain fatty acid  . It is also related to or classified as hydroxy polyunsaturated fatty acid , hepoxilin , epoxy fatty acid .
The molecule C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N is an anionic form of nicotinamide adenine dinucleotide arising from deprotonation of the two OH groups of the diphosphate moiety. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite, a hydrogen acceptor and a cofactor. It is a conjugate base of a NAD(+).
The molecule C(CCCCCC(NCC(=O)[O-])=O)CCC C(CCCCCC(NCC(=O)[O-])=O)CCC is an N-acylglycinate that is the conjugate base of N-decanoylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as N-(fatty acyl)-glycine(1-)  . It is also related to or classified as N-acylglycinate  .
The molecule O=C1C(=COCC1)CC(=O)OCC2=CC(O)=CC=C2 O=C1C(=COCC1)CC(=O)OCC2=CC(O)=CC=C2 is 3-hydroxybenzyl 2-(4-oxo-5,6-dihydro-2H-pyran-3-yl) acetate. Its functional parent is benzyl alcohol . It is also related to or classified as carboxylic ester  .
The molecule C/C/1=C\\CC/C(=C/CC([C@H](CC/C(=C/CC1)/C)O)(C)C)/C is a fifteen-membered macrocyclic diterpenoid consisting of (1S,4E,8E,12E)-cyclopentadeca-4,8,12-trien-1-ol carrying five additional methyl substituents at positions 2, 2, 5, 9 and 13. It is a cycloalkatriene, a macrocycle, a diterpenoid, an olefinic compound and a secondary alcohol.
The molecule C(C(=O)O)P(=O)(O)O is a member of the class of phosphonic acids that is phosphonic acid in which the hydrogen attached to the phosphorous is replaced by a carboxymethyl group. It has a role as an antiviral agent and an EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor. It is a monocarboxylic acid and a member of phosphonic acids. It derives from a phosphonic acid and an acetic acid. It is a conjugate acid of a hydrogen phosphonatoacetate(2-).
The molecule CC1=CN=C2C(=O)NC(=O)N=C2N1CCCCO is a pteridine that is lumazine substituted with a 4-hydroxybutyl group at position 8 and a methyl group at position 7; one of 20 modifications to the potent microbial riboflavin-based metabolite antigen 5-(2-oxopropylideneamino)-6-D-ribityl aminouracil (5-OP-RU), an activator of mucosal-associated invariant T (MAIT) cells when presented by the MR1 protein (reported in MED:32123373). It derives from a lumazine.
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP([O-])([O-])=O CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP([O-])([O-])=O is dianion of 1-palmitoyl-sn-glycerol 3-phosphate arising from deprotonation of both OH groups of the phosphate. It is also related to or classified as 1-acyl-sn-glycerol 3-phosphate(2-)  . It is also related to or classified as 1-palmitoylglycerol 3-phosphate(2-)  .
The molecule C(NCC(O)=O)(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC C(NCC(O)=O)(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC is an N-acylglycine in which the acyl group is specified as (9Z,12Z,15Z)-octadecatrienoyl (linolenoyl). Its functional parent is alpha-linolenic acid . It is a conjugate acid of N-(9Z,12Z,15Z)-octadecatrienoylglycinate . It is also related to or classified as N-acylglycine  . It is also related to or classified as fatty amide .
The molecule OC[C@@H](O)[C@H](O)C(O)=O OC[C@@H](O)[C@H](O)C(O)=O is D-threonic acid. It is a conjugate acid of D-threonate . It is also related to or classified as threonic acid .
The molecule Cl.CC(C)(C)NC[C@@H](O)c1cc(Cl)c(N)c(Cl)c1 Cl.CC(C)(C)NC[C@@H](O)c1cc(Cl)c(N)c(Cl)c1 is the monohydrochloride salt of (S)-clenbuterol. It is also related to or classified as clenbuterol hydrochloride  .
The molecule COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(C=C(C=C3O2)O)O is a trimethoxyflavone that is the 3',4',5'-tri-O-methyl ether of tricetin. It is a trimethoxyflavone, a dihydroxyflavone and a 3',5'-dimethoxyflavone. It derives from a tricetin. It is a conjugate acid of a 3',4',5'-O-trimethyltricetin(1-).
The molecule CCCCCCCCCCCCCCCCC(O)C(O)=O CCCCCCCCCCCCCCCCC(O)C(O)=O is A long-chain fatty acid that is stearic (octadecanoic) acid substituted at position 2 by a hydroxy group. It has the role of human metabolite . It is a conjugate acid of 2-hydroxyoctadecanoate . It is also related to or classified as 2-hydroxy fatty acid  . It is also related to or classified as hydroxyoctadecanoic acid .
The molecule C[C@H]1O[C@H](CC(O)=O)CC2=C1C(=O)c1c(O)cccc1C2 C[C@H]1O[C@H](CC(O)=O)CC2=C1C(=O)c1c(O)cccc1C2 is 5-Deoxodihydrokalafungin. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C(NCC([O-])=O)(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC C(NCC([O-])=O)(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC is an N-acylglycinate that is the conjugate base of N-(9Z,12Z,15Z)-octadecatrienoylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as N-acylglycinate  .
The molecule OC[C@H](O)[C@@H](O)C([O-])=O OC[C@H](O)[C@@H](O)C([O-])=O is conjugate base of L-threonic acid. It has the role of human metabolite . It is also related to or classified as threonate , hydroxy monocarboxylic acid anion .
The molecule [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1OC(O)[C@H](NC(C)=O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](O)[C@H](O)COC(C)=O [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1OC(O)[C@H](NC(C)=O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](O)[C@H](O)COC(C)=O is an amino disaccharide consisting of an N-acetylglucosamine having an N-acetyl-9-O-acetylneuraminic acid attached via an alpha-(2->6)-linkage. It has the role of epitope . It is also related to or classified as amino disaccharide .
The molecule CCCCC[C@@H](/C=C/C=C\\C=C/C(C/C=C\\C/C=C\\CCC(=O)O)OO)OO is a docosanoid that is (4Z,7Z,11Z,13Z,15E)-docosapentaenoic acid carrying two hydroperoxy substituents at positions 10 and 17. It has a role as a human xenobiotic metabolite. It is a docosanoid, a hydroperoxy fatty acid, a lipid hydroperoxide and a long-chain fatty acid. It derives from a (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoic acid. It is a conjugate acid of a (4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosapentaenoate.
The molecule CCCCCCCCCCCC(=O)NCC(O)=O CCCCCCCCCCCC(=O)NCC(O)=O is an N-acylglycine with an acyl group that is lauroyl. It has the role of metabolite . Its functional parent is dodecanoic acid . It is a conjugate acid of N-dodecanoylglycinate . It is also related to or classified as N-acylglycine  . It is also related to or classified as fatty amide .
The molecule Nc1cc[nH]c(=O)n1 Nc1cc[nH]c(=O)n1 is an aminopyrimidine that is pyrimidin-2-one having the amino group located at position 4. It has the role of mouse metabolite . It has the role of Saccharomyces cerevisiae metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . It is also related to or classified as pyrimidine nucleobase  . It is also related to or classified as pyrimidone , aminopyrimidine .
The molecule CC1(C(NC(=O)C1N)CC2=CC=C(C=C2)O)C is a member of the class of pyrrolidin-2-ones that is pyrrolidin-2-one which is substituted by an amino group at position 3, by two methyl groups at position 4 and by a 4-hydroxybenzyl group at position 5. It is a biosynthetic precursor in the synthesis of mycofactocin. It is a member of phenols, a member of pyrrolidin-2-ones, an aminopyrrolidine and a primary amino compound. It is a conjugate base of a 3-amino-5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidin-2-one(1+).
The molecule O=C1OC2=C3C(=C(O)C(=C2)O)[C@H]4[C@]5(OC(=O)C=6C(O)=CC(=CC6C5=CC([C@]4(C=7C3=C1C(O)=CC7OC)O)=O)OC)C O=C1OC2=C3C(=C(O)C(=C2)O)[C@H]4[C@]5(OC(=O)C=6C(O)=CC(=CC6C5=CC([C@]4(C=7C3=C1C(O)=CC7OC)O)=O)OC)C is Verrulactone E. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C(CCCCCC(NCC(=O)[O-])=O)CCCCC C(CCCCCC(NCC(=O)[O-])=O)CCCCC is an N-acylglycinate that is the conjugate base of N-dodecanoylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as N-(fatty acyl)-glycine(1-)  . It is also related to or classified as N-acylglycinate  .
The molecule CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC is the N-octanoyl derivative of isoglobotriaosyl ceramide. It has the role of epitope . It is also related to or classified as alpha-D-Galp-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer  .
The molecule C(\C([C@H]1[C@H](C/C=C\CCCCC)O1)O)=C\C/C=C\CCCC(=O)[O-] C(\C([C@H]1[C@H](C/C=C\CCCCC)O1)O)=C\C/C=C\CCCC(=O)[O-] is A hepoxilin anion that is the conjugate base of hepoxilin B3, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as hepoxilin anion .
The molecule C1=CC=C(C(=C1)C=O)O is a hydroxybenzaldehyde carrying a hydroxy substituent at position 2. It has a role as a nematicide and a plant metabolite.
The molecule C12=CC=CC=C1NC3=C2N=NC(=N3)SCC(C)=C C12=CC=CC=C1NC3=C2N=NC(=N3)SCC(C)=C is A triazinoindole that is 5H-[1,2,4]triazino[5,6-b]indole which is substituted at position 3 by a (2-methylprop-2-en-1-yl)thio group. A potent inhibitor of midasin which is an essential protein for eukaryotic ribosome biogenesis. It is also related to or classified as triazinoindole  . It is also related to or classified as organic sulfide  .
The molecule C[C@]1(CCC[C@@]2([C@@H]1[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)C4)C(=O)O)C(=O)O)C(=O)O is a C20-gibberellin that is gibberellin A12 in which the 4a-methyl group is oxidised to the corresponding carboxylic acid. It is a C20-gibberellin and a tricarboxylic acid. It derives from a gibberellin A12. It is a conjugate acid of a gibberellin A25(2-).
The molecule C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)NC3=CC=CC(=C3)C4=CNC5=C4C=C(C=N5)C6=CC=C(C=C6)CN is a member of the class of phenylureas obtained by formal condensation of the carboxy group of (3-{5-[4-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-3-yl}phenyl)carbamic acid with the amino group of 2-phenoxyaniline. An inhibitor of tyrosine kinase. It has a role as an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor. It is a pyrrolopyridine, an aromatic ether, a primary amino compound and a member of phenylureas.
The molecule C1[C@@]2(C=C([C@@]3([C@@]1(C(OC)=O)C4=C(C5=C(C=CC=C5)N4)CCN3C2)[H])CC)[H] C1[C@@]2(C=C([C@@]3([C@@]1(C(OC)=O)C4=C(C5=C(C=CC=C5)N4)CCN3C2)[H])CC)[H] is an organic heteropentacyclic compound and monoterpenoid indole alkaloid produced by the medicinal plant Catharanthus roseus via strictosidine. It is also related to or classified as methyl ester  . It is also related to or classified as bridged compound , organic heteropentacyclic compound , alkaloid ester , tertiary amino compound , monoterpenoid indole alkaloid .
The molecule CC(C)CCCCCCCCC(=O)O is a methyl-branched fatty acid that is undecanoic acid substituted by a methyl group at position 10. It is a branched-chain saturated fatty acid, a methyl-branched fatty acid and a medium-chain fatty acid. It derives from an undecanoic acid.
The molecule CC1=C(C(O)=O)C(O)=CC(O)=C1 CC1=C(C(O)=O)C(O)=CC(O)=C1 is A dihydroxybenzoic acid that is 2,4-dihydroxybenzoic acid in which the hydrogen at position 6 is replaced by a methyl group. It has the role of metabolite . It has the role of marine metabolite . It has the role of fungal metabolite . It is a conjugate acid of o-orsellinate . It is also related to or classified as dihydroxybenzoic acid , resorcinols .
The molecule OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)[n+]1cccc(c1)C(O)=O OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)[n+]1cccc(c1)C(O)=O is N-(D-glucopyranosyl)nicotinic acid. It is a conjugate acid of N-(D-glucopyranosyl)nicotinate . It is also related to or classified as N-glycosylnicotinate .
The molecule C1[C@@]2(C=C([C@@]3([C@@]1(C(OC)=O)C4=C(C5=C(C=CC=C5)N4)CC[NH+]3C2)[H])CC)[H] C1[C@@]2(C=C([C@@]3([C@@]1(C(OC)=O)C4=C(C5=C(C=CC=C5)N4)CC[NH+]3C2)[H])CC)[H] is an ammonium ion resulting from thr protonation of the tertiary amino group of catharanthine. It is a conjugate acid of catharanthine . It is also related to or classified as ammonium ion derivative .
The molecule C[C@H](C1=CC=C(C2=CC=CC=C21)C3CCCCC3)C(=O)O is the R-enantiomer of the racemic drug vedaprofen. The racemate is used for control of pain and inflammation particularly associated with chronic musculoskeletal disorders and soft tissue trauma in dogs and horses and for treatment of pain due to horse colic. It is an enantiomer of a (S)-vedaprofen.
The molecule O=C1C2=C(O)C=CC=C2C(=O)C3C1C(O)=C4C(C(=O)C[C@@](C4)(O)C)=C3 O=C1C2=C(O)C=CC=C2C(=O)C3C1C(O)=C4C(C(=O)C[C@@](C4)(O)C)=C3 is Arabomycin. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule C1=CC(=C(C=C1C(F)(F)F)C(=O)O)C(F)(F)F is a benzoic acid carrying trifluoromethyl substituents at the 2- and 5-positions. It is a member of benzoic acids and a member of (trifluoromethyl)benzenes.
The molecule C12=C(C=CC=C1)NC=3[C@]([C@@]4(/C(/CN(CC4)CCC32)=C\C)[H])(C(=O)OC)CO C12=C(C=CC=C1)NC=3[C@]([C@@]4(/C(/CN(CC4)CCC32)=C\C)[H])(C(=O)OC)CO is A monoterpenoid indole alkaloid with formula C21H26N2O3, isolated from several plant species including Rhazya stricta, Tabernaemontana dichotoma and Aspidosperma pyricollum. 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 methyl ester  . It is also related to or classified as Aspidosperma alkaloid , organic heterotetracyclic compound , monoterpenoid indole alkaloid .
The molecule CN1[C@@H](CC2=CC=C(C=C2)OC3=CC4=CC(=C3O)C5=CC6=C(C=C5)C(=CN6)C[C@H](C(=O)N[C@@H](C(=O)N[C@H]4C(=O)N[C@@H](C1=O)C7=CC(=C(C(=C7)Cl)O)Cl)C8=CC(=C(C(=C8)Cl)O)Cl)NC(=O)C(=O)C9=CC(=C(C(=C9)Cl)O)Cl)C(=O)N[C@H](C1=CC=C(C=C1)O)C(=O)O is a heterodetic cyclic peptide consisting of N-acylated trytophan, 3,5-dichloro-4-hydroxyphenylglycine, 4-hydroxyphenylglycine, 3,5-dichloro-4-hydroxyphenylglycyl, tyrosine and 4-hydroxyphenylglycine residues joined in sequence and in which the side-chain of the central 4-hydroxyphenylglycine residue is attached to the side-chain of the tryptophan via a C3-C6 bond and to the side-chain of the tyrosine via an ether bond from C5. It is isolated from the culture broth of Streptomyces and has anti-HIV-1 activity. It has a role as a metabolite, an antimicrobial agent and an anti-HIV-1 agent. It is a member of indoles, a cyclic ether, a heterodetic cyclic peptide, an organochlorine compound, a peptide antibiotic and a polyphenol.
The molecule C12=C(C=CC=C1)NC=3[C@]([C@@]4(/C(/C[NH+](CC4)CCC32)=C\C)[H])(C(=O)OC)CO C12=C(C=CC=C1)NC=3[C@]([C@@]4(/C(/C[NH+](CC4)CCC32)=C\C)[H])(C(=O)OC)CO is an ammonium ion resulting from the protonation of the tertiary amino group of 15alpha-stemmadenine. The major species at pH 7.3. It is a conjugate acid of 15alpha-stemmadenine . It is also related to or classified as ammonium ion derivative .
The molecule C(CCCCCCCCCC)CCCCCCC(=O)[O-] C(CCCCCCCCCC)CCCCCCC(=O)[O-] is A fatty acid anion 18:0 that is the conjugate base of octadecanoic acid (stearic acid). Stearates have a variety of uses in the pharmaceutical industry. It has the role of Saccharomyces cerevisiae metabolite . It has the role of plant metabolite . It has the role of human metabolite . It is also related to or classified as long-chain fatty acid anion  .  It is also related to or classified as fatty acid anion 18:0  . It is also related to or classified as 2-saturated fatty acid anion  . It is also related to or classified as straight-chain saturated fatty acid anion .
The molecule COC[C@H]1O[C@@H](O[C@H]2[C@H](C)O[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](OC)[C@@H]1O COC[C@H]1O[C@@H](O[C@H]2[C@H](C)O[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](OC)[C@@H]1O is A disaccharide derivative consisting of alpha-L-rhamnose having a 3,6-di-O-methyl-beta-D-glucosyl residue attached at the 4-position; corresponds to the carbohydrate portion of synthetic antigens containing the Mycobacterium leprae-specific epitope. It is also related to or classified as disaccharide derivative .
The molecule CCOC(=O)C1=C(C(=C(S1)NC(=O)/C=C/C2=C(N(N=C2)C)C)C(=O)OC(C)C)C is a secondary carboxamide, an ethyl ester, an isopropyl ester, a member of thiophenes and a member of pyrazoles.