mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>C[C@@H](O)CCCCCCCCCCCC[C@@H](O)CC(O)=O</smiles> is an (omega-1)-hydroxy fatty acid that is (16R)-16-hydroxymargaric acid ((16R)-16-hydroxyheptadecanoic acid) in which the 3-pro-R hydrogen is replaced by a hydroxy group. Its functional parent is (16R)-16-hydroxymargaric acid. It is also related to or classified as long-chain fatty acid . It is also related to or classified as dihydroxy monocarboxylic acid, 3-hydroxy carboxylic acid, (omega-1)-hydroxy fatty acid.
The molecule <smiles>OCCCCCCCCCC[C@@H](O)CC(O)=O</smiles> is A dihydroxy monocarboxylic acid that is 13-hydroxytridecanoic acid in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. Its functional parent is 13-hydroxytridecanoic acid. It is also related to or classified as omega-hydroxy-long-chain fatty acid .  It is also related to or classified as (3R)-3-hydroxy fatty acid . It is also related to or classified as dihydroxy monocarboxylic acid.
The molecule <smiles>OCCCCCCCCCCCC[C@@H](O)CC(O)=O</smiles> is A dihydroxy monocarboxylic acid that is 15-hydroxypentadecanoic acid in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. Its functional parent is 15-hydroxypentadecanoic acid. It is also related to or classified as omega-hydroxy-long-chain fatty acid .  It is also related to or classified as (3R)-3-hydroxy fatty acid . It is also related to or classified as dihydroxy monocarboxylic acid.
The molecule <smiles>C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1O</smiles> is an omega-hydroxy fatty acid ascaroside that derived from reaction of the omega-hydroxy group of (3R)-3,22-dihydroxybehenic acid [(3R)-3,22-dihydroxydocosanoic acid] with alpha-ascarylopyranose. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite. Its functional parent is (3R)-3,22-dihydroxybehenic acid. It is also related to or classified as monocarboxylic acid, 3-hydroxy carboxylic acid, omega-hydroxy fatty acid ascaroside.
The molecule <smiles>C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1O</smiles> is an omega-hydroxy fatty acid ascaroside that derived from reaction of the omega-hydroxy group of (3R)-3,23-dihydroxytricosanoic acid with alpha-ascarylopyranose. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite. Its functional parent is (3R)-3,22-dihydroxytricosanoic acid. It is also related to or classified as monocarboxylic acid, 3-hydroxy carboxylic acid, omega-hydroxy fatty acid ascaroside.
The molecule <smiles>OCCCCCCCCCCCCCC[C@@H](O)CC(O)=O</smiles> is A dihydroxy monocarboxylic acid that is 17-hydroxymargaric acid (17-hydroxyheptadecanoic acid) in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. Its functional parent is 17-hydroxymargaric acid. It is also related to or classified as omega-hydroxy-long-chain fatty acid .  It is also related to or classified as (3R)-3-hydroxy fatty acid . It is also related to or classified as dihydroxy monocarboxylic acid.
The molecule <smiles>C(CCCCCCCCCCO)CC[C@H](CC(O)=O)O</smiles> is A 3,16-dihydroxyhexadecanoic acid in which the chiral centre has R configuration. It is also related to or classified as 3,16-dihydroxyhexadecanoic acid .
The molecule <smiles>OC[C@H]1O[C@H](O[C@@H]2COC(O)(CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A glycosylfructose consisting of an alpha-D-glucopyranosyl residue joined to D-fructopyranose via a (1->5)-linkage. An isomer of sucrose. It has the role of sweetening agent. It is also related to or classified as glycosylfructose.
The molecule <smiles>OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</smiles> is A glycosylfructose consisting of an alpha-D-glucopyranosyl residue joined to beta-D-fructofuranose via a (1->4)-linkage. It is also related to or classified as glycosylfructose.
The molecule <smiles>NC1=C\C(C(=O)NC1=O)=C1\C=C(N)C(=O)NC1=O</smiles> is A member of the class of pyridone that is a dimeric blue pigment biosynthesised from L-glutamine. It has the role of biological pigment. It has the role of bacterial metabolite. Its functional parent is L-glutamine. It is also related to or classified as dicarboximide .   It is also related to or classified as enamine . It is also related to or classified as ring assembly, pyridone.
The molecule <smiles>OCCCCCCCCCCCCCCCCC[C@@H](O)CC(O)=O</smiles> is A dihydroxy monocarboxylic acid that is 20-hydroxyicosanoic acid in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. Its functional parent is 20-hydroxyicosanoic acid. It is also related to or classified as omega-hydroxy-long-chain fatty acid .  It is also related to or classified as (3R)-3-hydroxy fatty acid . It is also related to or classified as dihydroxy monocarboxylic acid.
The molecule <smiles>OCCCCCCCCCCCCCCCCCCCC[C@@H](O)CC(O)=O</smiles> is A dihydroxy monocarboxylic acid that is tricosanoic acid in which the pro-R hydrogen at position 3 and and one of the hydrogens of the terminal methyl group are replaced by hydroxy groups. Its functional parent is tricosanoic acid. It is also related to or classified as omega-hydroxy-very-long-chain fatty acid .  It is also related to or classified as (3R)-3-hydroxy fatty acid . It is also related to or classified as dihydroxy monocarboxylic acid.
The molecule <smiles>C[C@H](CCCC\C=C\C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> is an ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester resulting from the formal esterification of the carboxy group of ascr#3 with the anomeric hydroxy group of beta-D-glucopyranose. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite. Its functional parent is ascr#3. It is also related to or classified as alpha,beta-unsaturated carboxylic ester, ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester, (omega-1)-hydroxy fatty acid ascaroside.
The molecule <smiles>OCCCCCC[C@@H](O)CC(O)=O</smiles> is A dihydroxy monocarboxylic acid that is 9-hydroxynonanoic acid in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. Its functional parent is 9-hydroxynonanoic acid. It is also related to or classified as omega-hydroxy-medium-chain fatty acid .  It is also related to or classified as (3R)-3-hydroxy fatty acid . It is also related to or classified as dihydroxy monocarboxylic acid.
The molecule <smiles>OCCCCCCCCCCCCCCCCCCC[C@@H](O)CC(O)=O</smiles> is A dihydroxy monocarboxylic acid that is behenic acid (docosanoic acid) in which the pro-R hydrogen at position 3 and and one of the hydrogens of the terminal methyl group are replaced by hydroxy groups. Its functional parent is docosanoic acid. It is also related to or classified as omega-hydroxy-long-chain fatty acid .  It is also related to or classified as (3R)-3-hydroxy fatty acid . It is also related to or classified as dihydroxy monocarboxylic acid.
The molecule <smiles>C[C@H](CCCCCCC(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> is an ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester resulting from the formal esterification of the carboxy group of ascr#10 with the anomeric hydroxy group of beta-D-glucopyranose. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite. Its functional parent is ascr#10. It is also related to or classified as ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester, (omega-1)-hydroxy fatty acid ascaroside.
The molecule <smiles>OCCCCCCCCCCCCCCCC[C@@H](O)CC(O)=O</smiles> is A dihydroxy monocarboxylic acid that is 19-hydroxynonadecanoic acid in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. Its functional parent is 19-hydroxynonadecanoic acid. It is also related to or classified as omega-hydroxy-long-chain fatty acid .  It is also related to or classified as (3R)-3-hydroxy fatty acid . It is also related to or classified as dihydroxy monocarboxylic acid.
The molecule <smiles>C[C@H](CCCCCCCCC(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> is an ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester resulting from the formal esterification of the carboxy group of ascr#18 with the anomeric hydroxy group of beta-D-glucopyranose. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite. Its functional parent is ascr#18. It is also related to or classified as ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester, (omega-1)-hydroxy fatty acid ascaroside.
The molecule <smiles>C[C@H](CCCCCCCCCCCC(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> is an ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester resulting from the formal esterification of the carboxy group of ascr#24 with the anomeric hydroxy group of beta-D-glucopyranose. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite. Its functional parent is ascr#24. It is also related to or classified as ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester, (omega-1)-hydroxy fatty acid ascaroside.
The molecule <smiles>C(CCCCCCCCCCO)CCCC[C@H](CC(O)=O)O</smiles> is A dihydroxy monocarboxylic acid that is 8-hydroxyoctadecanoic acid (18-hydroxystearic acid1) in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. It is also related to or classified as omega-hydroxy-long-chain fatty acid .   It is also related to or classified as (3R)-3-hydroxy fatty acid . It is also related to or classified as hydroxyoctadecanoic acid, dihydroxy monocarboxylic acid.
The molecule <smiles>OC[C@H]1O[C@](O)(CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O</smiles> is A glycosyl glycoside prepared from alpha-D-glucopyranosyl and beta-D-fructofuranose residues. It has the role of sweetening agent. It has the role of bacterial metabolite. It is also related to or classified as glycosyl glycoside.
The molecule <smiles>Cc1ccc(Nc2nc(N)c3ccccc3n2)cc1Cl</smiles> is A member of the class of quinazolines that is quinazoline-2,4-diamine in which one of the hydrogens attached to the amino group at position 2 is replaced by a 3-chloro-4-methylphenyl group. It has been found to stimulate the immune defences of the nematode Caenorhabditis elegans, so affording protection from bacterial infection. It has the role of immunomodulator. It is also related to or classified as quinazolines, substituted aniline, primary amino compound, secondary amino compound, monochlorobenzenes.
The molecule <smiles>C[C@H](CCCCCCCCCCCCC(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> is an ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester resulting from the formal esterification of the carboxy group of ascr#26 with the anomeric hydroxy group of beta-D-glucopyranose. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite. Its functional parent is ascr#26. It is also related to or classified as ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester, (omega-1)-hydroxy fatty acid ascaroside.
The molecule <smiles>OCCCCCCCCCCCCCCCCCC[C@@H](O)CC(O)=O</smiles> is A dihydroxy monocarboxylic acid that is 21-hydroxyhenicosanoic acid in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. Its functional parent is 21-hydroxyhenicosanoic acid. It is also related to or classified as omega-hydroxy-long-chain fatty acid .  It is also related to or classified as (3R)-3-hydroxy fatty acid . It is also related to or classified as dihydroxy monocarboxylic acid.
The molecule <smiles>C[C@H](CCCCCCCCCCC(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> is an ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester resulting from the formal esterification of the carboxy group of ascr#22 with the anomeric hydroxy group of beta-D-glucopyranose. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite. Its functional parent is ascr#22. It is also related to or classified as ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester, (omega-1)-hydroxy fatty acid ascaroside.
The molecule <smiles>C[C@H](CCCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1ccc(O)cc1</smiles> is A 4-O-(p-hydroxybenzoyl)ascaroside derived from (8R)-8-hydroxynonanoic acid. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite. Its functional parent is ascr#10. Its functional parent is (8R)-8-hydroxynonanoic acid. It is also related to or classified as monocarboxylic acid, (omega-1)-hydroxy fatty acid ascaroside, 4-O-(p-hydroxybenzoyl)ascaroside.
The molecule <smiles>C[C@H](CCCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12</smiles> is A 4-O-(1H-indol-3-ylcarbonyl)ascaroside that is icas#10 in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group.  It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite. Its functional parent is icas#10. Its functional parent is bhas#10. Its functional parent is (3R,8R)-3,8-dihydroxynonanoic acid. It is also related to or classified as monocarboxylic acid, 3-hydroxy carboxylic acid, 4-O-(1H-indol-3-ylcarbonyl)ascaroside, (omega-1)-hydroxy fatty acid ascaroside.
The molecule <smiles>[C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)S/C(=N\OS(O)(=O)=O)/CC=C</smiles> is an alkenylglucosinolic acid that consists of 1-thio-beta-D-glucopyranose having a 4-[(sulfooxy)imino]but-1-en-4-yl group attached to the anomeric sulfur. It is a conjugate acid of sinigrin(1-). It is also related to or classified as alkenylglucosinolic acid .
The molecule <smiles>C[C@H](CCCCCCCC(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> is an ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester resulting from the formal esterification of the carboxy group of ascr#16 with the anomeric hydroxy group of beta-D-glucopyranose. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite. Its functional parent is ascr#16. It is also related to or classified as ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester, (omega-1)-hydroxy fatty acid ascaroside.
The molecule <smiles>C[C@H](CCCCCCCCCC(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> is an ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester resulting from the formal esterification of the carboxy group of ascr#20 with the anomeric hydroxy group of beta-D-glucopyranose. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite. Its functional parent is ascr#20. It is also related to or classified as ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester, (omega-1)-hydroxy fatty acid ascaroside.
The molecule <smiles>[H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\C2=C/C=C1C[C@@H](O)C[C@H](O)C1)[C@H](C)\C=C\[C@H](C)C(C)(C)O</smiles> is paricalcitol. It has the role of antiparathyroid drug. Its functional parent is vitamin D2. It is also related to or classified as seco-cholestane, hydroxy seco-steroid.
The molecule <smiles>Cc1c(CC(=O)NCCCC[C@H](NC(=O)CCN)C(O)=O)c(=O)oc2cc(N)ccc12</smiles> is A dipeptide that is beta-alanyl-L-lysine in which the amino group at position 6 of the lysine has been acylated by formal condensation with (7-amino-4-methylcoumarin-3-yl)acetic acid. Being fluorescent, it can be used as a reporter molecule for studying the oligopeptide transport system in brain cell cultures. It has the role of fluorescent probe. It is also related to or classified as dipeptide . It is also related to or classified as 7-aminocoumarins.
The molecule <smiles>C[C@H](CCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1ccc(O)cc1</smiles> is A 4-O-(p-hydroxybenzoyl)ascaroside derived from (2E,8R)-8-hydroxynon-2-enoic acid. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite. Its functional parent is (2E,8R)-8-hydroxynon-2-enoic acid. Its functional parent is ascr#3. It is also related to or classified as alpha,beta-unsaturated monocarboxylic acid, (omega-1)-hydroxy fatty acid ascaroside, 4-O-(p-hydroxybenzoyl)ascaroside.
The molecule <smiles>C[C@H](CCCCCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12</smiles> is A 4-O-(1H-indol-3-ylcarbonyl)ascaroside that is icas#18 in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite. Its functional parent is icas#18. Its functional parent is bhas#18. Its functional parent is (3R,10R)-3,10-dihydroxyundecanoic acid. It is also related to or classified as monocarboxylic acid, 3-hydroxy carboxylic acid, 4-O-(1H-indol-3-ylcarbonyl)ascaroside, (omega-1)-hydroxy fatty acid ascaroside.
The molecule <smiles>C[C@H](CCCCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12</smiles> is A 4-O-(1H-indol-3-ylcarbonyl)ascaroside that is icas#16 in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite. Its functional parent is icas#16. Its functional parent is bhas#16. Its functional parent is (3R,9R)-3,9-dihydroxydecanoic acid. It is also related to or classified as monocarboxylic acid, 3-hydroxy carboxylic acid, 4-O-(1H-indol-3-ylcarbonyl)ascaroside, (omega-1)-hydroxy fatty acid ascaroside.
The molecule <smiles>C[C@H](CCCCCCCCCCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12</smiles> is an (omega-1)-hydroxy fatty acid ascaroside that is bhas#28 in which the hydroxy group at position 4 of the ascarylopyranose moiety has been has been converted to the corresponding 1H-indole-3-carboxylate ester. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite. Its functional parent is bhas#28. Its functional parent is (3R,15R)-3,15-dihydroxypalmitic acid. It is also related to or classified as monocarboxylic acid, 3-hydroxy carboxylic acid, 4-O-(1H-indol-3-ylcarbonyl)ascaroside, (omega-1)-hydroxy fatty acid ascaroside.
The molecule <smiles>CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)c1ccc2nc(oc2c1)-c1cc(Cl)cc(Cl)c1</smiles> is an organoammonium salt obtained by combining tafamidis with one molar equivalent of 1-deoxy-1-(methylamino)-D-glucitol. Used for the amelioration of transthyretin-related hereditary amyloidosis. It has the role of central nervous system drug. It is also related to or classified as organoammonium salt.
The molecule <smiles>C[C@H](CCCCCCCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12</smiles> is A 4-O-(1H-indol-3-ylcarbonyl)ascaroside that is icas#22 in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite. Its functional parent is icas#22. Its functional parent is bhas#22. Its functional parent is (3R,12R)-3,12-dihydroxytridecanoic acid. It is also related to or classified as monocarboxylic acid, 3-hydroxy carboxylic acid, 4-O-(1H-indol-3-ylcarbonyl)ascaroside, (omega-1)-hydroxy fatty acid ascaroside.
The molecule <smiles>C[C@H](CCCCCCCCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12</smiles> is an (omega-1)-hydroxy fatty acid ascaroside that is bhas#24 in which the hydroxy group at position 4 of the ascarylopyranose moiety has been has been converted to the corresponding 1H-indole-3-carboxylate ester. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite. Its functional parent is bhas#24. Its functional parent is (3R,13R)-3,13-dihydroxymyristic acid. It is also related to or classified as monocarboxylic acid, 3-hydroxy carboxylic acid, 4-O-(1H-indol-3-ylcarbonyl)ascaroside, (omega-1)-hydroxy fatty acid ascaroside.
The molecule <smiles>CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1</smiles> is A carbohydrazide obtained by formal condensation of the carboxy groups of malonic acid with the hydrino groups of two molar equivalents of N-methylbenzenecarbothiohydrazide. It has the role of antineoplastic agent. It has the role of apoptosis inducer. Its functional parent is malonic acid. It is also related to or classified as carbohydrazide . It is also related to or classified as thiocarbonyl compound.
The molecule <smiles>C[C@H](CCCCCCCCCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12</smiles> is an (omega-1)-hydroxy fatty acid ascaroside that is bhas#26 in which the hydroxy group at position 4 of the ascarylopyranose moiety has been has been converted to the corresponding 1H-indole-3-carboxylate ester. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite. Its functional parent is bhas#26. Its functional parent is (3R,14R)-3,14-dihydroxypentadecanoic acid. It is also related to or classified as monocarboxylic acid, 3-hydroxy carboxylic acid, 4-O-(1H-indol-3-ylcarbonyl)ascaroside, (omega-1)-hydroxy fatty acid ascaroside.
The molecule <smiles>[C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)SC(=NOS(O)(=O)=O)C[C@H](C=C)O</smiles> is the stereoisomer of xi-progoitrin that has R at the carbon bearing the allylic hydroxy group. It has the role of plant metabolite. It is a conjugate acid of progoitrin(1-). It is also related to or classified as xi-progoitrin .
The molecule <smiles>C[C@@H]1O[C@@H](OCCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12</smiles> is an omega-hydroxy fatty acid ascaroside that is bhos#18 in which the hydroxy group at position 4 of the ascarylopyranose moiety has been has been converted to the corresponding 1H-indole-3-carboxylate ester. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite. Its functional parent is bhos#18. Its functional parent is (3R)-3,11-dihydroxyundecanoic acid. It is also related to or classified as monocarboxylic acid, 3-hydroxy carboxylic acid, 4-O-(1H-indol-3-ylcarbonyl)ascaroside, omega-hydroxy fatty acid ascaroside.
The molecule <smiles>C[C@@H]1O[C@@H](OCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12</smiles> is an omega-hydroxy fatty acid ascaroside that is bhos#16 in which the hydroxy group at position 4 of the ascarylopyranose moiety has been has been converted to the corresponding 1H-indole-3-carboxylate ester. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite. Its functional parent is bhos#16. Its functional parent is (3R)-3,10-dihydroxydecanoic acid. It is also related to or classified as monocarboxylic acid, 3-hydroxy carboxylic acid, 4-O-(1H-indol-3-ylcarbonyl)ascaroside, omega-hydroxy fatty acid ascaroside.
The molecule <smiles>C[C@@H]1O[C@@H](OCCCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12</smiles> is an omega-hydroxy fatty acid ascaroside that is bhos#20 in which the hydroxy group at position 4 of the ascarylopyranose moiety has been has been converted to the corresponding 1H-indole-3-carboxylate ester. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite. Its functional parent is bhos#20. Its functional parent is (3R)-3,12-dihydroxylauric acid. It is also related to or classified as monocarboxylic acid, 3-hydroxy carboxylic acid, 4-O-(1H-indol-3-ylcarbonyl)ascaroside, omega-hydroxy fatty acid ascaroside.