anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [H][C@@]12[C@@H](C)CC(=O)[C@]1(O)C(=CO[C@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)OC [H][C@@]12[C@@H](C)CC(=O)[C@]1(O)C(=CO[C@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)OC is an iridoid monoterpenoid with formula C17H24O11 that is isolated from several plants including Verbena officinalis and exhibits a sleep-promoting effect. It has the role of hepatoprotective agent . 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 cyclopentapyran , iridoid monoterpenoid , alpha,beta-unsaturated carboxylic ester , monosaccharide derivative , monoterpene glycoside .
The molecule CN1CCN(CC1)Cc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nc(cs2)-c2cccnc2)c1 CN1CCN(CC1)Cc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nc(cs2)-c2cccnc2)c1 is A member of the class of benzamides that is the carboxamide resulting from the formal condensation of the carboxy group of 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid with the primary amino group of 4-methyl-N(3)-[4-(pyridin-3-yl)-1,3-thiazol-2-yl]benzene-1,3-diamine. It is a highly selective oral tyrosine kinase inhibitor. It has the role of antineoplastic agent . It has the role of antirheumatic drug . It has the role of tyrosine kinase inhibitor . It is also related to or classified as benzamides , pyridines , 1,3-thiazoles , N-alkylpiperazine .
The molecule C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S)O)O)O)O is a thiosugar that is beta-D-glucopyranose in which the hydroxy group at position 1 is replaced by a sulfanyl group It is a thiol, a monosaccharide derivative and a thiosugar. It derives from a beta-D-glucose.
The molecule C[NH2+][C@@H]1C[C@H]2O[C@@](C)([C@@H]1O)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 C[NH2+][C@@H]1C[C@H]2O[C@@](C)([C@@H]1O)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 is conjugate acid of 3'-demethylstaurosporine. It is a conjugate acid of 3'-demethylstaurosporine . It is also related to or classified as ammonium ion derivative .
The molecule C1=C(NC(NC=2C=CC=CC2)=S)C=CC=C1 C1=C(NC(NC=2C=CC=CC2)=S)C=CC=C1 is thiourea in which each nitrogen carries a phenyl substituent. It has the role of allergen . It is also related to or classified as thioureas .
The molecule C([C@H](C(C)C)NC(=O)N[C@H](C(=O)N[C@H](C(=O)NCCCN[C@@H]([C@@H]([C@H]1O[C@H]([C@@H]([C@@H]1O)O)N2C(NC(C=C2)=O)=O)O[C@@H]3O[C@@H]([C@H]([C@H]3O)O)C[NH3+])C([O-])=O)CC(C)C)[C@H]4NC(=[NH+]CC4)N)(=O)[O-] C([C@H](C(C)C)NC(=O)N[C@H](C(=O)N[C@H](C(=O)NCCCN[C@@H]([C@@H]([C@H]1O[C@H]([C@@H]([C@@H]1O)O)N2C(NC(C=C2)=O)=O)O[C@@H]3O[C@@H]([C@H]([C@H]3O)O)C[NH3+])C([O-])=O)CC(C)C)[C@H]4NC(=[NH+]CC4)N)(=O)[O-] is muraymycin D2 zwitterion. It has the role of antimicrobial agent . It is also related to or classified as zwitterion  .
The molecule O(P(=O)(OCCNC(=O)CCCCCCCCCCCCCCC)O)C[C@H](OC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O O(P(=O)(OCCNC(=O)CCCCCCCCCCCCCCC)O)C[C@H](OC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O is an N-acylphosphatidylethanolamine in which the N- and O-acyl groups are specified as hexadecanoyl (palmitoyl). Its functional parent is hexadecanoic acid . It is a conjugate acid of N-hexadecanoyl-1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine(1-) . It is also related to or classified as N-acylphosphatidylethanolamine  .
The molecule [H]C(c1[nH]cc(C)c1CCC(O)=O)=C1C(=O)Nc2ccccc12 [H]C(c1[nH]cc(C)c1CCC(O)=O)=C1C(=O)Nc2ccccc12 is an oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is substituted by a 3-(2-carboxyethyl)-4-methyl-1H-pyrrol-2-yl group. It is an ATP-competitive inhibitor of the tyrosine kinase activity of fibroblast growth factor receptor 1. It has the role of fibroblast growth factor receptor antagonist . Its functional parent is 3-methyleneoxindole . It is also related to or classified as monocarboxylic acid , pyrroles , oxindoles .
The molecule C1(=O)NC(=NC(=O)N1)Cl is a dihydroxy-1,3,5-triazine that is 1,3,5-triazine-2,4-diol substituted by a chloro group at position 6. It is a chloro-1,3,5-triazine and a dihydroxy-1,3,5-triazine.
The molecule CCCCCCCCCCCCCCCCCC(=O)N[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[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)NC(=O)C)O[C@@]5(C[C@@H]([C@H]([C@@H](O5)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O is a sialotetraosylceramide consisting of a branched pentasaccharide made up from one sialyl residue, two galactose residues, one N-acetylgalactosamine residue and a glucose residue at the reducing end attached to N-stearoylsphingosine via a beta-linkage. It is a sialotetraosylceramide and an alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine. It contains a ->8)-alpha-Neu5Ac-(2->3)-[beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)]-beta-D-Gal-(1->4)-yl group. It is a conjugate acid of a ganglioside GM1(1-).
The molecule CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1 CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1 is A member of the class of ureas that is 1-tert-butylurea in which one of the hydrogens attached to N(3) is substituted by a pyrido[2,3-d]pyrimidin-7-yl group, which is itself substituted at positions 2 and 6 by a 4-(diethylamino)butyl]amino group and a 3,5-dimethoxyphenyl group, respectively. It is a FGF/VEGF receptor tyrosine kinase inhibitor. It has the role of antineoplastic agent . It has the role of EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor . It has the role of fibroblast growth factor receptor antagonist . Its functional parent is PD-166866 .  It is also related to or classified as pyridopyrimidine  . It is also related to or classified as aromatic amine , ureas , tertiary amino compound , dimethoxybenzene , biaryl .
The molecule C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O[C@H]2[C@H]([C@H](O[C@]([C@H]2O)(C(=O)O)O)[C@@H](CO)O)O)[C@@H](CO)O)O)O is a disaccharide comprising a 3-deoxy-alpha-D-manno-oct-2-ulopyranonosonyl unit in (2->4) linkage with D-glycero-alpha-D-talo-oct-2-ulosonic acid; it is found in the core structure of bacterial lipopolysaccharides.
The molecule OC(=O)CCC(=O)N[C@@H](CCCC(=O)C(O)=O)C(O)=O OC(=O)CCC(=O)N[C@@H](CCCC(=O)C(O)=O)C(O)=O is A tricarboxylic acid consisting of L-2-amino-6-oxoheptanedioic acid having a succinoyl group attached to the nitrogen. Its functional parent is pimelic acid . It is a conjugate acid of L-2-succinylamino-6-oxoheptanedioate(3-) . It is also related to or classified as tricarboxylic acid .
The molecule C(=O)(CCCC/C=C/CCCCCCCCCCC)[O-] C(=O)(CCCC/C=C/CCCCCCCCCCC)[O-] is an unsaturated fatty acid anion resulting from the deprotonation of the carboxy group of petroselaidic acid. The major species at pH 7.3.  It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as unsaturated fatty acid anion .
The molecule [H][C@@]12C[C@@H](CCC(C)=C1CC[C@@H]2C)C(C)=C [H][C@@]12C[C@@H](CCC(C)=C1CC[C@@H]2C)C(C)=C is A carbobicyclic compound and sesquiterpene that is 1,2,3,3a,4,5,6,7-octahydroazulene which is substituted by methyl groups at positions 3 and 8 and by a (prop-1-en-2-yl group at position 5 (the 3S,3aS,5R enantiomer). It has the role of platelet aggregation inhibitor . It has the role of plant metabolite . It is also related to or classified as sesquiterpene  . It is also related to or classified as carbobicyclic compound .
The molecule C1(=C(C(C(=C(C1=O)OC)[O-])=O)C)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C C1(=C(C(C(=C(C1=O)OC)[O-])=O)C)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C is major microspecies at pH 7.3. It is also related to or classified as 3-demethylubiquinone(1-) , organic molecular entity .
The molecule [O-]C(=O)c1ccc2ccccc2n1 [O-]C(=O)c1ccc2ccccc2n1 is A quinolinemonocarboxylate that is the conjugate base of quinaldic acid; major species at pH 7.3. It has the role of human metabolite . It is also related to or classified as quinolinemonocarboxylate .
The molecule O=C1C2=C(N3N(CCCC3)C2=CC(=C1)C)C4=CC=C(O)C=C4 O=C1C2=C(N3N(CCCC3)C2=CC(=C1)C)C4=CC=C(O)C=C4 is Nigellidine. It is also related to or classified as organic heterotricyclic compound , organonitrogen heterocyclic compound .
The molecule C(CC(=O)[O-])CC(=O)[O-] is a dicarboxylic acid dianion obtained by deprotonation of both the carboxy groups of glutaric acid. It has a role as a human metabolite. It is a dicarboxylic acid dianion and a glutarate. It is a conjugate base of a glutarate(1-).
The molecule [H]C(=N)N[C@@H](CC(O)=O)C(O)=O [H]C(=N)N[C@@H](CC(O)=O)C(O)=O is an aspartic acid derivative that is the N-formimidoyl derivative of  L-aspartic acid. It has the role of bacterial xenobiotic metabolite . It is a conjugate acid of N-formimidoyl-L-aspartate(2-) . It is a conjugate acid of N-iminiumylmethyl-L-aspartate . It is also related to or classified as C4-dicarboxylic acid , L-aspartic acid derivative .
The molecule C(CNC(=O)[C@H](NC(=O)CNC(C1=CC(=NN1)C=2SC(=NC2C)NC(C3=CC=CC=C3)=O)=O)CCCNC(N)=N)(N[C@@H](C(N[C@@H](C(N[C@@H](C(N)=O)CC(=O)O)=O)CC(=O)O)=O)CC(=O)O)=O C(CNC(=O)[C@H](NC(=O)CNC(C1=CC(=NN1)C=2SC(=NC2C)NC(C3=CC=CC=C3)=O)=O)CCCNC(N)=N)(N[C@@H](C(N[C@@H](C(N[C@@H](C(N)=O)CC(=O)O)=O)CC(=O)O)=O)CC(=O)O)=O is A hexapeptide consisting of N-{[3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]carbonyl}glycine, D-arginine, glycine, D-alpha-aspartic acid, D-alpha-aspartic acid, and D-alpha-aspartic 1-amide residues coupled in sequence. An angiotensin II type 2 receptor agonist. It has the role of angiotensin receptor agonist .  It is also related to or classified as oligopeptide  . It is also related to or classified as benzamides , pyrazoles , 1,3-thiazoles , biaryl .
The molecule C/C=C(\\C)/C(=O)O[C@@H]1CC[C@@]([C@]2([C@H]1[C@@]([C@@H](C[C@@H]2OC(=O)C)C)(C)C[C@@H](C3=CC(=O)OC3)OC(=O)/C(=C/C)/C)COC(=O)C)(CCl)O is a diterpene lactone isolated from the whole plants of Ajuga ciliata. It has a role as a plant metabolite. It is a diterpene lactone, an acetate ester, a butenolide, a carbobicyclic compound, an organochlorine compound and a tertiary alcohol. It derives from a tiglic acid.
The molecule C(C(O)=O)C/C=C\C/C=C\CC(/C=C/C=C\C/C=C\C/C=C\CC)OO C(C(O)=O)C/C=C\C/C=C\CC(/C=C/C=C\C/C=C\C/C=C\CC)OO is A docosanoid that is (4Z,7Z,11E,13Z,16Z,19Z)-docosahexaenoic acid carrying a hydroperoxy substituent at position 10. Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid . It is a conjugate acid of (4Z,7Z,11E,13Z,16Z,19Z)-10-hydroperoxydocosahexaenoate .  It is also related to or classified as hydroperoxy polyunsaturated fatty acid  . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as docosanoid .
The molecule [H][C@]12[C@@H](CC[C@@H](C)[C@]11CC[C@](C)(O)[C@]21[H])C(C)C [H][C@]12[C@@H](CC[C@@H](C)[C@]11CC[C@](C)(O)[C@]21[H])C(C)C is A tertiary alcohol resulting from the formal addition of water to the double bond of alpha-cubebene.  It is also related to or classified as tertiary alcohol  . It is also related to or classified as sesquiterpenoid , carbotricyclic compound .
The molecule OP(O)(=O)OP(O)([O-])=O OP(O)(=O)OP(O)([O-])=O is A monovalent inorganic anion obtained by deprotonation of one of the phosphate OH groups in diphosphoric acid. It is a conjugate acid of diphosphate(2-) . It is also related to or classified as diphosphate ion , monovalent inorganic anion .
The molecule CCC(/C=C/C1C2CC(C1/C=C/CCCCCCCCC(=O)OC)OO2)OO is a lipid hydroperoxide that consists of 2,3-dioxabicyclo[2.2.1]heptane substituted by a 11-methoxy-11-oxoundec-1-en-1-yl and a 3-hydroperoxypent-1-en-1-yl groups at positions 5 and 6 respectively. It is a lipid hydroperoxide and a fatty acid methyl ester.
The molecule OC(=O)CC(S[Au])C(O)=O OC(=O)CC(S[Au])C(O)=O is A sulfur-containing carboxylic acid that is thiomalic acid in which the sulfur atom is linked to a gold atom. Its functional parent is thiomalic acid . It is a conjugate acid of aurothiomalate(2-) . It is also related to or classified as sulfur-containing carboxylic acid , gold coordination entity .
The molecule C1=CC2=C(C(=C1)Cl)NC3=C4C(=C5C(=C23)C(=O)NC5=O)C6=C(N4[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=CC=C6)Cl is an N-glycosyl compound consisting of a heteropolycyclic ring system with a glucosyl group attached to one of the indolic nitrogens. It is an organochlorine compound, an indolocarbazole, a N-glycosyl compound and an organic heterohexacyclic compound.
The molecule C(\CC)=C\C/C=C\C/C=C\C=C\C(C/C=C\CCCC(=O)O)OO C(\CC)=C\C/C=C\C/C=C\C=C\C(C/C=C\CCCC(=O)O)OO is A hydroperoxy fatty acid that is (5Z,9E,11Z,14Z,17Z)-icosapentaenoic acid in which the hydroperoxy group is located at position 8. Its functional parent is all-cis-5,8,11,14,17-icosapentaenoic acid . It is a conjugate acid of (5Z,9E,11Z,14Z,17Z)-8-hydroperoxyicosapentaenoate . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as hydroperoxy polyunsaturated fatty acid  .
The molecule [H][C@]1(CC[C@@]2(C)CCC=C(C)[C@@]2([H])C1)C(C)=C [H][C@]1(CC[C@@]2(C)CCC=C(C)[C@@]2([H])C1)C(C)=C is an isomer of selinene where the double bond in the octahydronaphthalene ring system is endocyclic with (2R,4aR,8aS)-configuration. It has been isolated from termites. It has the role of animal metabolite . It is also related to or classified as octahydronaphthalenes , selinene .
The molecule O1C(C(O)C(O)C(O)C1OC=2C=3OC(CC3C=C4C2OC(=O)C=C4)C(O)(C)C)COC5OC(C(O)C(O)C5O)C(O)=O O1C(C(O)C(O)C(O)C1OC=2C=3OC(CC3C=C4C2OC(=O)C=C4)C(O)(C)C)COC5OC(C(O)C(O)C5O)C(O)=O is 3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-{[2-(2-hydroxypropan-2-yl)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-9-yl]oxy}oxan-2-yl)methoxy]oxane-2-carboxylic acid.  It is also related to or classified as glycoside  . It is also related to or classified as coumarins .
The molecule C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=NC6=C(N=CN=C65)N)COP(=O)(O)O[C@@H]7[C@@H]([C@H](O[C@H]7N8C=NC9=C(N=CN=C98)N)COP(=O)(O)O[C@@H]1[C@@H]([C@H](O[C@H]1N1C=NC2=C(N=CN=C21)N)COP(=O)(O)O[C@@H]1[C@@H]([C@H](O[C@H]1N1C=NC2=C(N=CN=C21)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)O)O)O)O)N is an oligonucleotide comprised of five adenosine residues connected by 2'->5' phosphodiester linkages and with a triphosphate group at the 5' terminus.
The molecule [C@H]1(C2=CC=CC=C2)[C@H](N)C1 [C@H]1(C2=CC=CC=C2)[C@H](N)C1 is A 2-phenylcyclopropan-1-amine that is the (1R,2S)-enantiomer of tranylcypromine. It is also related to or classified as 2-phenylcyclopropan-1-amine  .
The molecule C1O[C@]([C@H]([C@@H]([C@@H]1O)O)O)(O)/C=N/CC([O-])=O C1O[C@]([C@H]([C@@H]([C@@H]1O)O)O)(O)/C=N/CC([O-])=O is major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .
The molecule CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC([O-])=O CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC([O-])=O is an icosapentaenoate that is the conjugate base of all-cis-5,8,11,14,17-icosapentaenoic acid, arising from deprotonation of the carboxylic acid group. It has the role of human metabolite . It is also related to or classified as icosapentaenoate  .
The molecule [H][C@@]12[C@H](C)CCC1=C(C)CC[C@]1([H])[C@@]2([H])C1(C)C [H][C@@]12[C@H](C)CCC1=C(C)CC[C@]1([H])[C@@]2([H])C1(C)C is A carbotricyclic sesquiterpene obtained from several natural sources, including Australian Tea Tree oil (Melaleuca alternifolia.). It is also related to or classified as sesquiterpene  . It is also related to or classified as carbotricyclic compound .
The molecule CC(C)[C@@H]1CC[C@]2([C@H]3[C@@H]1C[C@H](C3)C2=C)C CC(C)[C@@H]1CC[C@]2([C@H]3[C@@H]1C[C@H](C3)C2=C)C is A sesquiterpene derivative. It is also related to or classified as sesquiterpene  . It is also related to or classified as bridged compound .
The molecule C1=CC(=CC=C1/C=C/[C@@H](C2=CC(=C(C=C2)O)O)[C@@H](CO)O)O is a norlignan that is a derivative of agatharesinol in which the aromatic ring B has an additional hydroxy substituent ortho to the one present in the parent compound. It has a role as a metabolite. It derives from an agatharesinol.
The molecule OC1=C(C(C)(C)C)C=C(OC)C=C1C(C)(C)C OC1=C(C(C)(C)C)C=C(OC)C=C1C(C)(C)C is 2,6-di-tert-butyl-4-methoxyphenol. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule [H][C@@]1(O[C@H](O)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O)[C@@H](O)CO [H][C@@]1(O[C@H](O)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O)[C@@H](O)CO is A heptose derivative that is D-glycero-alpha-D-manno-heptose phosphorylated on O-2 and O-4. It is also related to or classified as heptose derivative .
The molecule C([C@@H](CSC(C)=O)C)(=O)N1[C@H](C(N[C@@H](CC2=CC=CC=C2)C(O)=O)=O)CCC1 C([C@@H](CSC(C)=O)C)(=O)N1[C@H](C(N[C@@H](CC2=CC=CC=C2)C(O)=O)=O)CCC1 is Alacepril. It has the role of EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor . It is also related to or classified as dipeptide  . It is also related to or classified as thioacetate ester  .
The molecule C(CC/C=C\C=C\1/O[C@H]1C/C=C\CC)CCCCC(=O)O C(CC/C=C\C=C\1/O[C@H]1C/C=C\CC)CCCCC(=O)O is an octadecanoid that is (9Z,11Z,15Z)-octadecatrienoic acid having an epoxy group located across positions 12 and 13. It is a conjugate acid of (9Z,11Z,13S,15Z)-12,13-epoxyoctadecatrienoate .    It is also related to or classified as long-chain fatty acid  . It is also related to or classified as polyunsaturated fatty acid , octadecanoid , epoxy fatty acid .
The molecule C[C@H]1CC[C@H](CC2=C1CC[C@@H]2C)C(C)=C C[C@H]1CC[C@H](CC2=C1CC[C@@H]2C)C(C)=C is A carbobicyclic compound and sesquiterpene that is 1,2,3,4,5,6,7,8-octahydroazulene which is substituted by methyl groups at positions 1 and 4 and by a (prop-1-en-2-yl group at position 7 (the 1S,4S,7R enantiomer). It has the role of volatile oil component . It has the role of plant metabolite . It is also related to or classified as sesquiterpene  . It is also related to or classified as carbobicyclic compound .
The molecule NC(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O NC(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O is A monosaccharide derivative that is the carboxamide of beta-D-glucuronic acid. Its functional parent is beta-D-glucuronic acid . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as monosaccharide derivative .
The molecule CCCCC[C@H]1[C@@H](O1)[C@@H](/C=C\\C/C=C\\C/C=C\\CCCC(=O)[O-])O is an epoxy(hydroxy)icosatrienoate that is the conjugate base of (13R)-hydroxy-(14S,15S)-epoxyicosa-(5Z,8Z,11Z)-trienoic acid, obtained by deprotonation of the carboxy group. It is a conjugate base of a (13R)-hydroxy-(14S,15S)-epoxyicosa-(5Z,8Z,11Z)-trienoic acid.
The molecule F[C@@H]1[C@@H]([C@H]([C@@H](O)C1)C/C=C\CCCC(O)=O)/C=C/[C@@H](O)C2CC=3C(C2)=CC=CC3 F[C@@H]1[C@@H]([C@H]([C@@H](O)C1)C/C=C\CCCC(O)=O)/C=C/[C@@H](O)C2CC=3C(C2)=CC=CC3 is 5-heptenoic acid, 7-[(1r,2r,3s,5s)-2-[(1e,3s)-3-(2,3-dihydro-1h-inden-2-yl)-3-hydroxy-1-propen-1-yl]-3-fluoro-5-hydroxycyclopentyl]-, (5z)-. It is also related to or classified as long-chain fatty acid  .
The molecule [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)CC/C=C/C)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)CC/C=C/C)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is an acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of (E)-hex-4-enoyl-CoA; major species at pH 7.3. It is also related to or classified as monounsaturated fatty acyl-CoA(4-)  . It is also related to or classified as medium-chain fatty acyl-CoA(4-)  .
The molecule [H][C@]12CC[C@]3(CC1=C)C=CC(=O)[C@@](C)(CCC(=O)NC1=C(O)C(=CC=C1O)C([O-])=O)[C@]3([H])C2 [H][C@]12CC[C@]3(CC1=C)C=CC(=O)[C@@](C)(CCC(=O)NC1=C(O)C(=CC=C1O)C([O-])=O)[C@]3([H])C2 is A monocarboxylic acid anion that is the conjugate base of platencin resulting from the deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as dihydroxybenzoate  . It is also related to or classified as monocarboxylic acid anion  .
The molecule [C@H]([C@H]([C@@H]([C@H](/C=C/CCCC/C=C/CCCCCCC)OC(=O)C)O)O)(C(=O)[O-])[NH3+] [C@H]([C@H]([C@@H]([C@H](/C=C/CCCC/C=C/CCCCCCC)OC(=O)C)O)O)(C(=O)[O-])[NH3+] is major microspecies at pH 7.3. It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as alpha-amino-acid zwitterion  .
The molecule C(CCC/C=C\C[C@@H]1/C(/O1)=C/C=C\C/C=C\CCCCC)(=O)O C(CCC/C=C\C[C@@H]1/C(/O1)=C/C=C\C/C=C\CCCCC)(=O)O is an EpETE that is (5Z,9Z,11Z,14Z)-icosatetraenoic acid in which the epoxide function is located across positions 8 and 9. It is a conjugate acid of (5Z,8R,9Z,11Z,14Z)-8,9-epoxyicosatetraenoate . It is also related to or classified as EpETE .
The molecule OC[C@@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O OC[C@@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O is pyranose form of altrose in beta-L configuration. It has the role of bacterial metabolite . It is also related to or classified as L-altrose .
The molecule [O-]C(=O)[13CH2][13CH2][13C](=O)[13C]([O-])=O [O-]C(=O)[13CH2][13CH2][13C](=O)[13C]([O-])=O is alpha-ketoglutarate-13C4. It is also related to or classified as oxo dicarboxylic acid dianion , (13)C-modified compound .
The molecule CC/C=C\\C[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\\CCCC(=O)[O-])O)O)O is a prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin F3alpha, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a prostaglandin F3alpha.
The molecule P(OCC[N+](C)(C)C)(OCC(OC(=O)C)COC(=O)CCCCCCCCCCCCCCC)([O-])=O P(OCC[N+](C)(C)C)(OCC(OC(=O)C)COC(=O)CCCCCCCCCCCCCCC)([O-])=O is 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide. It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphocholine  .
The molecule O1C(C(O)C(O)C(O)C1OC2=C(OC=3C(C2=O)=C(O)C=C(OC)C3)C4=CC(O)=C(O)C=C4)CO O1C(C(O)C(O)C(O)C1OC2=C(OC=3C(C2=O)=C(O)C=C(OC)C3)C4=CC(O)=C(O)C=C4)CO is 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C1CN1 is a saturated organic heteromonocyclic parent, a member of aziridines and an azacycloalkane. It has a role as an alkylating agent. It is a conjugate base of an aziridinium.
The molecule CCCCC\C=C/C\C=C/C=C/[C@@H](C\C=C/CCCC([O-])=O)OO CCCCC\C=C/C\C=C/C=C/[C@@H](C\C=C/CCCC([O-])=O)OO is conjugate base of 8(R)-HPETE arising from deprotonation of the carboxylic acid function. It is also related to or classified as 8-HPETE(1-)  . It is also related to or classified as HPETE anion .
The molecule C[C@@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](NC(C)=O)[C@@H](O)[C@H]1NC(C)=O C[C@@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](NC(C)=O)[C@@H](O)[C@H]1NC(C)=O is A UDP-amino sugar having 2,4-diacetamido-2,4,6-trideoxy-beta-L-altrose as the amino sugar component. Its functional parent is 2,4-diacetamido-2,4,6-trideoxy-beta-L-altrose . It is a conjugate acid of UDP-2,4-diacetamido-2,4,6-trideoxy-beta-L-altrose(2-) . It is also related to or classified as UDP-amino sugar .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)O[C@H](C)CCCC[C@H](CC(=O)O)O)O)O is an (omega-1)-hydroxy fatty acid ascaroside that is ascr#10 in which the pro-R hydrogen that is beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans as well as the sour paste nematode, Panagrellus redivivus. It has a role as a Caenorhabditis elegans metabolite. It is an (omega-1)-hydroxy fatty acid ascaroside, a monocarboxylic acid and a 3-hydroxy carboxylic acid. It derives from an ascr#10 and a (3R,8R)-3,8-dihydroxynonanoic acid. It is a conjugate acid of a bhas#10(1-).
The molecule C1(C2=CC=CC=C2)C(N)C1 C1(C2=CC=CC=C2)C(N)C1 is A member of the class of cyclopropanes carrying amino and phenyl substituents at positions 1 and 2 respectively.  It is also related to or classified as primary amine  . It is also related to or classified as benzenes , cyclopropanes .