anonymous041/ChEBI-Augmented huggingface dataset:
The molecule S=C=N/C(/C(=O)O[C@H]1[C@@H](OC(=O)C)[C@@H](O)[C@H]([C@]2(O)C(O)=C(C(=N)C(C2)=O)C(=O)O)O[C@@H]1C)=C\C S=C=N/C(/C(=O)O[C@H]1[C@@H](OC(=O)C)[C@@H](O)[C@H]([C@]2(O)C(O)=C(C(=N)C(C2)=O)C(=O)O)O[C@@H]1C)=C\C is Paulomycin G. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N.Cl is a hydrochloride that is the monohydrochloride of 4,4'-[(4-iminocyclohexa-2,5-dien-1-ylidene)methanediyl]dianiline. One of the major constituents of Basic fuchsin, together with rosanilin, magenta II and new fuchsin. It has a role as a histological dye and a fluorochrome. It contains a pararosaniline(1+).
The molecule O1C(=O)C=2C3=C(C=CC2C4=CC=C(OC)C=C4)C=CC=C3C1=O O1C(=O)C=2C3=C(C=CC2C4=CC=C(OC)C=C4)C=CC=C3C1=O is 2-(4-Methoxyphenyl)naphthalic anhydride. It is also related to or classified as benzenes , naphthalenes , ring assembly .
The molecule OC12C(C(O)(CC1O)C)C(OC3OC(C(O)C(O)C3O)CO)OC=C2 OC12C(C(O)(CC1O)C)C(OC3OC(C(O)C(O)C3O)CO)OC=C2 is (1R,4Ar,5S,7R)-7-methyl-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4a,5,7-triol. It is also related to or classified as glycoside  . It is also related to or classified as iridoid monoterpenoid .
The molecule O(C1C(O)C(OC(OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)C1O)COC(=O)CC(O)=O)C5OCC(O)(C5O)CO O(C1C(O)C(OC(OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)C1O)COC(=O)CC(O)=O)C5OCC(O)(C5O)CO is 3-[(6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl)methoxy]-3-oxopropanoic acid. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCCCN)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(O)(=O)OP(O)(=O)OC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H]1NC(C)=O)C(O)=O)C(O)=O C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCCCN)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(O)(=O)OP(O)(=O)OC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H]1NC(C)=O)C(O)=O)C(O)=O is an undecaprenyldiphospho-N-acetylmuramoyl peptide in which the peptide element is L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanyl-D-alanine. It is a conjugate acid of undecaprenyldiphosphonato-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanyl-D-alanine(3-) . It is also related to or classified as undecaprenyldiphospho-N-acetylmuramoyl peptide .
The molecule S1S[C@]23N([C@@H]4C[C@@]5(O[C@H](C)C(C5=O)(C)C)[C@H]([C@@]4(C2)O)O)C(C1(N(C)C3=O)CO)=O S1S[C@]23N([C@@H]4C[C@@]5(O[C@H](C)C(C5=O)(C)C)[C@H]([C@@]4(C2)O)O)C(C1(N(C)C3=O)CO)=O is TAN-1496-D.  It is also related to or classified as organic disulfide  .  It is also related to or classified as 2,5-diketopiperazines  . It is also related to or classified as indoles , organic heteropentacyclic compound .
The molecule C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@H](C=O)O)[C@@H]([C@@H](C(=O)O)O)O)O)O)O)O is a disaccharide consisting beta-D-glucosyl and D-glucuronic acid residues joined by a (1->3)-linkage. It is a carbohydrate acid and a glycosylglucopyranuronic acid. It derives from a cellobiose. It is a conjugate acid of a 3-O-beta-D-glucosyl-D-glucuronate.
The molecule C[C@@H]1O[C@@H](OCCCCCCCCCCCC\C=C\C(O)=O)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCCCCCCCCC\C=C\C(O)=O)[C@H](O)C[C@H]1O is an omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-15-hydroxypentadec-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is (2E)-15-hydroxypentadec-2-enoic acid . It is a conjugate acid of oscr#25(1-) . It is also related to or classified as alpha,beta-unsaturated monocarboxylic acid , omega-hydroxy fatty acid ascaroside .
The molecule O1C(C(O)C(O)C(O)C1OC2=CC(O)=C(C(O)=C2)C(=O)/C=C/C3=CC(O)=C(O)C=C3)CO O1C(C(O)C(O)C(O)C1OC2=CC(O)=C(C(O)=C2)C(=O)/C=C/C3=CC(O)=C(O)C=C3)CO is 3,4,2',4',6'-Pentahydroxychalcone 4'-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule O1C(C(O)C(O)C(O)C1OC=2C(=C(O)C=C(O)C2)C(=O)/C=C/C3=CC(O)=C(O)C=C3)CO O1C(C(O)C(O)C(O)C1OC=2C(=C(O)C=C(O)C2)C(=O)/C=C/C3=CC(O)=C(O)C=C3)CO is 3,4,2',4',6'-Pentahydroxychalcone 2'-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NS(=O)(=O)O)O)O[C@@H]2[C@@H]([C@H](C(=C(O2)C(=O)O)O)O)OS(=O)(=O)O)O is an oligosaccharide sulfate consisting of 2-O-sulfo-beta-L-threo-hex-4-enopyranuronose and 2-deoxy-2-(sulfoamino)-beta-D-glucopyranose joined in sequence by a (1->4) glycosidic bond. It is a disaccharide, a member of sulfamic acids, an oligosaccharide sulfate, a monocarboxylic acid and an enol.
The molecule CCN(N=O)C(C)OC CCN(N=O)C(C)OC is 1-methoxy-N-nitrosodiethylamine. It has the role of mutagen . It is also related to or classified as nitrosamine  .
The molecule [H][As](O)(O)=O [H][As](O)(O)=O is arsonic acid. It is a conjugate acid of arsonate(1-) . It is also related to or classified as arsonic acids .
The molecule CC1CCCCCCC=CCCCCCCCC(O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2COC(C)=O)O[C@H]3[C@@H](O[C@@H]([C@H]([C@@H]3O)O)COC(C)=O)O1)O)O)=O CC1CCCCCCC=CCCCCCCCC(O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2COC(C)=O)O[C@H]3[C@@H](O[C@@H]([C@H]([C@@H]3O)O)COC(C)=O)O1)O)O)=O is also published in: https://doi.org/10.1007/BF02898308, Asmer, et al. (1988) Microbial production, structure elucidation, and bioconversion of sophorose lipids. JAOCS, 65: 1460-1466. It is also related to or classified as lactone  . It is also related to or classified as sophorolipid .
The molecule C1=C(C(=CC(=C1CC(=O)[O-])O)O)O C1=C(C(=CC(=C1CC(=O)[O-])O)O)O is A monocarboxylic acid anion that is the conjugate base of 2,4,5-trihydroxyphenylacetic acid, obtained by deprotonation of the carboxy group; major microspecies at pH 7.3. Its functional parent is phenylacetate . 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\\C/C=C\\CCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC is a 1,2-diacyl-sn-glycero-3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1,2-di[(4Z,7Z,10Z,13Z,16Z,19Z)]-docosahexaenoyl-sn-glycero-3-phosphate; major species at pH 7.3. It is a conjugate base of a 1,2-di[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphate.
The molecule CCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCC CCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCC is A dialkyl ketone that is hentriacontane in which the hydrogens at position 16 are replaced by an oxo group. It has the role of metabolite . It has the role of anticonvulsant . It is also related to or classified as dialkyl ketone  .
The molecule CCCCCCCCC#CCC#CCC#CCCCC(=O)O is a C20 polyunsaturated fatty acid having three triple bonds in the 5-, 8- and 11-positions. It has a role as an EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor. It is a polyunsaturated fatty acid, an icosanoid, a long-chain fatty acid and an acetylenic fatty acid.
The molecule COc1c(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1 COc1c(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1 is A glycosyloxyflavone that is luteolin substituted by a methoxy group at position 6 and an alpha-L-rhamnosyl moiety at position 7 via a glycosidic linkage. Its functional parent is luteolin . It is also related to or classified as monomethoxyflavone  .  It is also related to or classified as alpha-L-rhamnoside  . It is also related to or classified as glycosyloxyflavone  . It is also related to or classified as trihydroxyflavone , monosaccharide derivative .
The molecule C[C@@H]1O[C@@H](OCCCCCCCCCCCCCC(O)=O)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCCCCCCCCCCC(O)=O)[C@H](O)C[C@H]1O is an omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 14-hydroxytetradecanoic acid (14-hydroxymyristic acid) with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is 14-hydroxymyristic acid . It is a conjugate acid of oscr#24(1-) . It is also related to or classified as monocarboxylic acid , omega-hydroxy fatty acid ascaroside .
The molecule C1(CC1)C(=O)OC[C@]2([C@]3([C@@]([C@@]4([C@](OC5=C([C@@H]4O)C(OC(=C5)C=6C=NC=CC6)=O)([C@H](C3)O)C)[H])(CC[C@@H]2OC(=O)C7CC7)C)[H])C C1(CC1)C(=O)OC[C@]2([C@]3([C@@]([C@@]4([C@](OC5=C([C@@H]4O)C(OC(=C5)C=6C=NC=CC6)=O)([C@H](C3)O)C)[H])(CC[C@@H]2OC(=O)C7CC7)C)[H])C is an organic heterotetracyclic compound that is 1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromen-11-one which is substituted by methyl groups at positions 4, 6a, and 12b; hydroxy groups at positions 3, 6, and 9; and a cyclopropycarbonyloxymethyl group and a cyclopropylcarbonyloxy group at positions 17 and 18 respectively, and a pyridin-3-yl group at position 14 (the (3S,4R,4aR,6S,6aS,12R,12aS,12bS stereoisomer). It is an insecticide that is effective against sucking insects on fruit, vegetables and nuts. It has the role of TRPV channel modulator . It has the role of insecticide . It has the role of agrochemical .  It is also related to or classified as secondary alcohol  . It is also related to or classified as pyridines , organic heterotetracyclic compound , cyclopropanecarboxylate ester .
The molecule CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCC)O)O is a glycophytoceramide comprising (2S,3S,4R)-2-aminononane-1,3,4-triol having an alpha-D-galctopyranosyl residue at the O-1 position and an tetracosanoyl group attached to the nitrogen. It has a role as an epitope. It derives from an alpha-D-galactose.
The molecule COc1cc2C=C(O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)C(=O)c3c(ccc(c1O)c23)-c1ccccc1 COc1cc2C=C(O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)C(=O)c3c(ccc(c1O)c23)-c1ccccc1 is Haemocorin. It is also related to or classified as benzenes , naphthalenes , ring assembly .
The molecule C[NH+]1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 C[NH+]1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 is the ammonium ion resulting from the protonation of the amino group of scopolamine. It is a conjugate acid of scopolamine . It is also related to or classified as ammonium ion derivative .
The molecule C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8CC(=O)OC8)O)C)O)C)C)C)O)O is a cardanolide glycoside that is the 20,22-dihydro derivative of digoxin. It has a role as a metabolite. It derives from a digoxin.
The molecule OC=1C=2C=3C(=C(C=CC3C=CC2)C4=CC=C(O)C=C4)C(=O)C1O OC=1C=2C=3C(=C(C=CC3C=CC2)C4=CC=C(O)C=C4)C(=O)C1O is Musanolone E. It is also related to or classified as benzenes , naphthalenes , ring assembly .
The molecule C(CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)CCCCC(O)=O C(CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)CCCCC(O)=O is A beta-D-glucoside resulting from the formal condensation of the omega-hydroxy group of 16-hydroxyhexadecanoic acid (16-hydroxypalmitic acid) with beta-D-glucose. Its functional parent is 16-hydroxyhexadecanoic acid . It is a conjugate acid of 16-(beta-D-glucopyranosyloxy)hexadecanoate . It is also related to or classified as beta-D-glucoside  .
The molecule C1=C(C(=CC(=C1CC(=O)O)O)O)O C1=C(C(=CC(=C1CC(=O)O)O)O)O is A benzenetriol that is phenylacetic acid carrying three hydroxy substituents at positions 2, 4 and 5. It has the role of human xenobiotic metabolite . It has the role of human urinary metabolite . It is a conjugate acid of 2,4,5-trihydroxyphenylacetate . It is also related to or classified as benzenetriol , phenylacetic acids .
The molecule O=C(NCCCC([O-])=O)CCCCCCC/C=C\CCCCCCCC O=C(NCCCC([O-])=O)CCCCCCC/C=C\CCCCCCCC is A monocarboxylic acid anion that is the conjugate base of N-oleoyl-gamma-aminobutyric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as N-acyl-gamma-aminobutyrate  .
The molecule [H][N+](CCO)(CCO)CC([O-])=O [H][N+](CCO)(CCO)CC([O-])=O is A bicine that is amino acetate in which the nitrogen atom is substituted by 2 (2-hydroxyethyl)- groups. It is a conjugate acid of [bis(2-hydroxyethyl)amino]acetate . It is also related to or classified as bicine .
The molecule [O-]C(=O)[C@H](CS)NC(=[NH2+])N [O-]C(=O)[C@H](CS)NC(=[NH2+])N is major species at pH 7.3. It is also related to or classified as L-alpha-amino acid anion  .
The molecule O=C1C=C2C(=CC[C@]3([C@@]2(O)CC[C@@H]4[C@@]3(C=5NC=6C=CC(=CC6C5C4)C(C=C)(C)C)C)C)O[C@@H]1C(O)(C)C O=C1C=C2C(=CC[C@]3([C@@]2(O)CC[C@@H]4[C@@]3(C=5NC=6C=CC(=CC6C5C4)C(C=C)(C)C)C)C)O[C@@H]1C(O)(C)C is (2R,4bS,6aS,12bS,12cR)-9-isopentenylpaxilline. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C[C@@H]1O[C@@H](OCCCCCCCCCCC\C=C\C(O)=O)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCCCCCCCC\C=C\C(O)=O)[C@H](O)C[C@H]1O is an omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-14-hydroxytetradec-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is (2E)-14-hydroxytetradec-2-enoic acid . It is a conjugate acid of oscr#23(1-) . It is also related to or classified as alpha,beta-unsaturated monocarboxylic acid , omega-hydroxy fatty acid ascaroside .
The molecule C=1(C(=CC(=C(C1O)C)O)CC(CC(C)O)=O)C=O C=1(C(=CC(=C(C1O)C)O)CC(CC(C)O)=O)C=O is A dihydroxybenzaldehyde that is 2,4-dihydroxybenzaldehyde which is substituted by a methyl group at position e and by a at positions 3 and 4-hydroxy-2-oxopentyl group at position 6. A fungal metabolite isolated from Pseudobotrytis and Aspergillus niger (stereochemistry not been determined). It has the role of Aspergillus metabolite . It is also related to or classified as secondary alcohol  . It is also related to or classified as dihydroxybenzaldehyde  . It is also related to or classified as beta-hydroxy ketone .
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC(C)=CCCC(C)=O CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC(C)=CCCC(C)=O is A terpene ketone in which a (9E,13E)-geranylgernayl group is bonded to one of the alpha-methyls of acetone (it is a mixture of 5E- and 5Z-geoisomers in a 3:2 ratio). It has the role of anti-ulcer drug . It has the role of hepatoprotective agent . It has the role of neuroprotective agent . It has the role of nephroprotective agent . It has the role of cardioprotective agent . It has the role of Hsp70 inducer . It is also related to or classified as terpene ketone , methyl ketone .
The molecule OC[C@@H](C(O)=O)c1ccccc1 OC[C@@H](C(O)=O)c1ccccc1 is (S)-tropic acid. Its functional parent is (R)-hydratropic acid . It is also related to or classified as tropic acid  .
The molecule OC1=CC=CC(=C1)C(=O)OC1=C(OC(=O)C2=CC(O)=CC=C2)C(F)=CC=C1 OC1=CC=CC(=C1)C(=O)OC1=C(OC(=O)C2=CC(O)=CC=C2)C(F)=CC=C1 is A diester resulting from the formal condensation of the two hydroxy groups of 3-fluorocatechol with the carboxy groups of 3-hydroxybenzoic acid. It is an inhibitor of glucose transporter 1 (GLUT1) that suppresses tumour growth in mouse xenograft models. It has the role of radiosensitizing agent . It has the role of glucose transporter 1 inhibitor . It has the role of antineoplastic agent . Its functional parent is 3-hydroxybenzoic acid . Its functional parent is 3-fluorocatechol . It is also related to or classified as phenols  .  It is also related to or classified as diester  . It is also related to or classified as monofluorobenzenes  . It is also related to or classified as benzoate ester .
The molecule C(=O)(CCCC/C=C/CCCCCCCCCCC)O C(=O)(CCCC/C=C/CCCCCCCCCCC)O is the trans-isomer of octadec-6-enoic acid, a long-chain fatty acid. It is a conjugate acid of petroselaidate . It is also related to or classified as octadec-6-enoic acid  .
The molecule CC(=CCC1=C(C(=C2C(=C1O)C(=O)C[C@H](O2)C3=CC(=CC(=C3)O)O)CC=C(C)C)O)C is a tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7, 3' and 5' and prenyl groups at positions 6 and 8 respectively. It has been isolated from natural product found in Macaranga conifera. It has a role as a plant metabolite. It derives from a (2S)-flavanone.
The molecule [H][C@@]1(OC2=CC(O)=CC(O)=C2C[C@H]1O)C1=CC(O)=C(OC)C=C1 [H][C@@]1(OC2=CC(O)=CC(O)=C2C[C@H]1O)C1=CC(O)=C(OC)C=C1 is A catechin that is (-)-epicatechin in which the hydroxy group at position 4' is replaced by a methoxy group. It is a metabolite of (-)-epicatechin. It has the role of geroprotector . It has the role of rat metabolite . Its functional parent is (-)-epicatechin . It is also related to or classified as catechin  . It is also related to or classified as monomethoxybenzene , polyphenol .
The molecule C(CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)CCCCC([O-])=O C(CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)CCCCC([O-])=O is A long-chain fatty acid anion resulting from the deprotonation of the carboxy group of 16-(beta-D-glucopyranosyloxy)hexadecanoic acid. The major species at pH 7.3. It is also related to or classified as long-chain fatty acid anion  .
The molecule OC(=O)CCCC[C@@H]1CCSS1 OC(=O)CCCC[C@@H]1CCSS1 is the (R)-enantiomer of lipoic acid. A vitamin-like, C8 thia fatty acid with anti-oxidant properties. It has the role of cofactor . It has the role of prosthetic group . It has the role of nutraceutical . Its functional parent is octanoic acid . It is a conjugate acid of (R)-lipoate . It is also related to or classified as lipoic acid  . It is also related to or classified as dithiolanes , heterocyclic fatty acid , thia fatty acid .
The molecule O[C@@]1([C@]2([C@@](CC[C@H]([C@@H]2O)C(C)C)([C@H](O)CC1)C)[H])C O[C@@]1([C@]2([C@@](CC[C@H]([C@@H]2O)C(C)C)([C@H](O)CC1)C)[H])C is A eudesmane sesquiterpenoid that is eudesmane carrying three hydroxy substituents at positions 1, 4 and 6. It has the role of plant metabolite . It is also related to or classified as triol , eudesmane sesquiterpenoid .
The molecule CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1=CCCCC1=O CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1=CCCCC1=O is A 3-oxoacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 6-oxocyclohex-1-ene-1-carboxylic acid. Its functional parent is coenzyme A . It is a conjugate acid of 6-oxocyclohex-1-ene-1-carbonyl-CoA(4-) . It is also related to or classified as 3-oxo-fatty acyl-CoA  .
The molecule C1=2C(=CC(C(C1=O)(OC(C)=O)C)=O)C=C(OC2)CC(O)C C1=2C(=CC(C(C1=O)(OC(C)=O)C)=O)C=C(OC2)CC(O)C is an azaphilone that is 6H-2-benzopyran-6,8(7H)-dione carrying a 2-hydroxypropyl sunstyituent at position 3 as well as methyl and acetoxy substituents at position 7. It has the role of Aspergillus metabolite . It is also related to or classified as polyketide  . It is also related to or classified as secondary alcohol  .   It is also related to or classified as acetate ester  . It is also related to or classified as 2-benzopyran , cyclic ketone , azaphilone , beta-diketone .
The molecule C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)S(=O)(=O)O is a 6-sulfo-D-quinovose (6-deoxy-6-sulfo-D-glucopyranose) that has beta configuration at the anomeric centre. It is a conjugate acid of a 6-sulfo-beta-D-quinovose(1-).
The molecule C[C@@H]1O[C@@H](OCCCCCCCCCCCCC(O)=O)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCCCCCCCCCCCCC(O)=O)[C@H](O)C[C@H]1O is an omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 13-hydroxytridecanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is 13-hydroxytridecanoic acid . It is a conjugate acid of oscr#22(1-) . It is also related to or classified as monocarboxylic acid , omega-hydroxy fatty acid ascaroside .
The molecule CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCCCC CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCCCC is A beta-diketone that is hentriacontane in which the hydrogens at position 14 and 16 are replaced by oxo groups. It is also related to or classified as beta-diketone .
The molecule C=C1C2CCC(C)=CC[C@]3(C)[C@@]([C@@H](C(C)C)CC3)([H])CC=C(C)[C@@]2([H])CC1 C=C1C2CCC(C)=CC[C@]3(C)[C@@]([C@@H](C(C)C)CC3)([H])CC=C(C)[C@@]2([H])CC1 is A sesterterpene produced by a terpene synthase from Lentzea atacamensis. It has the role of bacterial metabolite . It is also related to or classified as sesterterpene  .
The molecule [O-][N+](=O)OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O [O-][N+](=O)OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O is A pentaerythritol nitrate in which all four hydroxy groups of pentaerythritol have been converted to the corresponding nitrate ester. It is a vasodilator with properties similar to those of glyceryl trinitrate, but with a more prolonged duration of action, and is used for treatment of angina pectoris. It is also one of the most powerful high explosives known and is a component of the plastic explosive known as Semtex. It has the role of vasodilator agent . It has the role of explosive . It is also related to or classified as pentaerythritol nitrate .
The molecule O\N=C1\Cc2cc(Br)c(Oc3cc(C\C(C(=O)NCCc4cc(Br)c(O)c(Oc5ccc(CCNC1=O)cc5Br)c4)=N/O)cc(Br)c3O)c(Br)c2 O\N=C1\Cc2cc(Br)c(Oc3cc(C\C(C(=O)NCCc4cc(Br)c(O)c(Oc5ccc(CCNC1=O)cc5Br)c4)=N/O)cc(Br)c3O)c(Br)c2 is A macrocyclic lactam with oximo amide groups having a -E,Z configuration. Isolated from the marine sponge Ianthella, it has been shown to exhibit calcium channel modulatory activity. It has the role of metabolite . It has the role of calcium channel modulator . It is also related to or classified as ketoxime  . It is also related to or classified as lactam  .  It is also related to or classified as organobromine compound  .  It is also related to or classified as macrocycle  . It is also related to or classified as polyphenol , cyclic ether .
The molecule C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C(=N4)C[C@@H]5[C@H]([C@@H](C(=N5)/C=C\\6/[C@H]([C@@H](/C(=C/C(=N3)[C@H]2CCC(=O)[O-])/[N-]6)CC(=O)[O-])CCC(=O)[O-])CCC(=O)[O-])CC(=O)[O-])(C)CC(=O)N)CCC(=O)[O-].[Ni] is a cyclic tetrapyrrole anion obtained by deprotonation of the carboxy groups of 15,17(3)-seco-F430-17(3)-acid; major species at pH 7.3. It is a hexacarboxylic acid anion and a cyclic tetrapyrrole anion. It is a conjugate base of a 15,17(3)-seco-F430-17(3)-acid.
The molecule C[C@H]1O[C@@H]2[C@H]3O[C@H](C)[C@@H]([C@H]1C1=C2[C@H](O)[C@H]2O[C@H]2C1=O)C1=C3[C@H](O)[C@H]2O[C@H]2C1=O C[C@H]1O[C@@H]2[C@H]3O[C@H](C)[C@@H]([C@H]1C1=C2[C@H](O)[C@H]2O[C@H]2C1=O)C1=C3[C@H](O)[C@H]2O[C@H]2C1=O is epoxytwinol A. It has the role of metabolite . It has the role of angiogenesis inhibitor . It is also related to or classified as pentaketide .
The molecule O(CCCCCCC=C)C(=O)CCC(O)=O O(CCCCCCC=C)C(=O)CCC(O)=O is Butanedioic acid, octenyl-. It is also related to or classified as fatty acid ester  .
The molecule OC(CCCCCCC/C=C\CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)=O OC(CCCCCCC/C=C\CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)=O is A beta-D-glucoside resulting from the formal condensation of beta-D-glucoyranose with the alcoholic hydroxy group of 18-hydroxyocctadec-9-enoic acid. Its functional parent is 18-hydroxyoleic acid . It is a conjugate acid of (9Z)-18-hydroxyoctadec-9-enoate 18-O-beta-D-glucoside . It is also related to or classified as beta-D-glucoside  .