anonymous041/ChEBI-Augmented huggingface dataset:
The molecule 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 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 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 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 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 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 [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 [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 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 Cc1c(CC(=O)NCCCC[C@H](NC(=O)CCN)C(O)=O)c(=O)oc2cc(N)ccc12 Cc1c(CC(=O)NCCCC[C@H](NC(=O)CCN)C(O)=O)c(=O)oc2cc(N)ccc12 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 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 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 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 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 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 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 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 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 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 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 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 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 CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)c1ccc2nc(oc2c1)-c1cc(Cl)cc(Cl)c1 CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)c1ccc2nc(oc2c1)-c1cc(Cl)cc(Cl)c1 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 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 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 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 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 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 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 CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1 CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1 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 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 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 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 [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 [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 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 C[C@@H]1O[C@@H](OCCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 C[C@@H]1O[C@@H](OCCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 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 C[C@@H]1O[C@@H](OCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 C[C@@H]1O[C@@H](OCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 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 C[C@@H]1O[C@@H](OCCCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 C[C@@H]1O[C@@H](OCCCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 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 .
The molecule C[C@@H]1O[C@@H](OCCCCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 C[C@@H]1O[C@@H](OCCCCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 is an omega-hydroxy fatty acid ascaroside that is bhos#22 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#22 . Its functional parent is (3R)-3,13-dihydroxytridecanoic 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 CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(O)=O CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(O)=O is A twelve-membered polypeptide comprising the sequence Tyr-Ile-Ile-Lys-Gly-Leu-Phe-Trp-Asp-Pro-Ala-Cys. Corresponds to the P34166[24-35] fragment of mating hormone A-factor 2 from Saccharomyces cerevisiae (strain ATCC 204508/S288c). It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as polypeptide  .
The molecule C[C@@H]1O[C@@H](OCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 C[C@@H]1O[C@@H](OCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 is an omega-hydroxy fatty acid ascaroside that is bhos#10 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#10 . Its functional parent is (3R)-3,9-dihydroxynonanoic 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 CN1N2C(=O)CC(=O)N3N(C)C(=[S+][Cu--]23[S+]=C1c1ccccc1)c1ccccc1 CN1N2C(=O)CC(=O)N3N(C)C(=[S+][Cu--]23[S+]=C1c1ccccc1)c1ccccc1 is the copper coordination entity formed from elesclomol by coordination to copper via the thiocarbonyl and hydrazino groups. It has the role of antineoplastic agent . It has the role of apoptosis inducer . It is also related to or classified as copper coordination entity .
The molecule C[C@H](CCCCCCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12 C[C@H](CCCCCCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12 is A 4-O-(1H-indol-3-ylcarbonyl)ascaroside that is icas#20 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#20 . Its functional parent is bhas#20 . Its functional parent is (3R,11R)-3,11-dihydroxylauric 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 C[C@@H]1O[C@@H](OCCCCCCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 C[C@@H]1O[C@@H](OCCCCCCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 is an omega-hydroxy fatty acid ascaroside that is bhos#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 bhos#26 . Its functional parent is (3R)-3,15-dihydroxypentadecanoic 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 CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(O)=O CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(O)=O is A twelve-membered polypeptide comprising the sequence Tyr-Ile-Ile-Lys-Gly-Val-Phe-Trp-Asp-Pro-Ala-Cys. Corresponds to the P34165[22-33] fragment of mating hormone A-factor 1 from Saccharomyces cerevisiae (strain ATCC 204508/S288c). It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as polypeptide  .
The molecule C[C@H](CCCCCCCCCCCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12 C[C@H](CCCCCCCCCCCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12 is an (omega-1)-hydroxy fatty acid ascaroside that is bhas#30 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#30 . Its functional parent is (3R,16R)-3,16-dihydroxymargaric 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 CC(C)C(=O)\C=C/C=C(/O)C([O-])=O CC(C)C(=O)\C=C/C=C(/O)C([O-])=O is A hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy group of (2E,4Z)-2-hydroxy-7-methyl-6-oxo-2,4-octadienoic acid; major species at pH 7.3. It is also related to or classified as 6-oxo monocarboxylic acid anion , hydroxy monocarboxylic acid anion .
The molecule CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O is A thirteen-membered polypeptide comprising the sequence Trp-His-Trp-Leu-Gln-Leu-Lys-Pro-Gly-Gln-Pro-Met-Tyr. Corresponds to the P01149[90-102] fragment of mating factor alpha-1 from Saccharomyces cerevisiae (strain ATCC 204508/S288c). It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as polypeptide  .
The molecule COc1nc2ccc(CN3CCN(CC3)C(N)=N)cc2cc1Cc1ccc(Cl)cc1 COc1nc2ccc(CN3CCN(CC3)C(N)=N)cc2cc1Cc1ccc(Cl)cc1 is A member of the class of quinolines that is 2-methoixyquinoline carrying additional 4-chlorobenzyl and (4-carboxamidinopiperidin-1-yl)methyl substituents at positions 3 and 6 respectively. It has the role of antifungal agent . It has the role of apoptosis inducer . It is also related to or classified as guanidines , piperazines , quinolines , aromatic ether , monochlorobenzenes .
The molecule C1=C(C(=CC2=C1N([C@@]3([C@@]24[C@@]5([C@]([C@H]([C@]3(O)C(=O)OC)OC(C)=O)(C=CC[NH+]5CC4)CC)[H])[H])C=O)[C@@]6(C=7NC8=CC=CC=C8C7CC[NH+]9C[C@](C[C@@H](C9)C6)(O)CC)C(OC)=O)OC.O=S(=O)([O-])[O-] C1=C(C(=CC2=C1N([C@@]3([C@@]24[C@@]5([C@]([C@H]([C@]3(O)C(=O)OC)OC(C)=O)(C=CC[NH+]5CC4)CC)[H])[H])C=O)[C@@]6(C=7NC8=CC=CC=C8C7CC[NH+]9C[C@](C[C@@H](C9)C6)(O)CC)C(OC)=O)OC.O=S(=O)([O-])[O-] is an organic sulfate salt containing equimolar amounts of vincristine(2+) and sulfate. Used for the treatment of a variety of cancers. It has the role of geroprotector . It has the role of antineoplastic agent . It is also related to or classified as organic sulfate salt .
The molecule CNC1=NC(=O)[C@@H](O1)[C@H](C)c1c[nH]c2ccccc12 CNC1=NC(=O)[C@@H](O1)[C@H](C)c1c[nH]c2ccccc12 is A member of the class of 1,3-oxazoles that is 1,3-oxazol-4(5H)-one which is substituted at the 2 and 5-pro-S positions by methylamino and [(1R)-1-(1H-indol-3-yl)ethyl] groups, respectively. It has the role of antimicrobial agent . It has the role of antibacterial agent . It has the role of bacterial metabolite . It has the role of EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor . It is also related to or classified as indoles , 1,3-oxazoles , secondary amino compound .
The molecule C[C@@H]1[C@@H](Sc2cccc3[nH]cc1c23)C(O)=O C[C@@H]1[C@@H](Sc2cccc3[nH]cc1c23)C(O)=O is A thiinoindole that is 3,5-dihydro-2H-thiino[4,3,2-cd]indole which is substituted at positions 2 and 3 by carboxy and methyl groups, respectively (the 2R,3S diastereoisomer). It has the role of antimicrobial agent . It has the role of antibacterial agent . It has the role of bacterial metabolite . It has the role of EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor . It is also related to or classified as monocarboxylic acid , indole alkaloid , thiinoindole .
The molecule CCC(C)CC(C)(O)CC(=O)O[C@H]1C[C@@]2(C)C[C@@H]3[C@@H](C[C@@H]2[C@@H]1C(C)C)C(=C)[C@@]1(O)[C@@H](O)C(=O)O[C@H](C)[C@H]1C\C=C3\C CCC(C)CC(C)(O)CC(=O)O[C@H]1C[C@@]2(C)C[C@@H]3[C@@H](C[C@@H]2[C@@H]1C(C)C)C(=C)[C@@]1(O)[C@@H](O)C(=O)O[C@H](C)[C@H]1C\C=C3\C is A terpene lactone that is obtained from Codinea simplex and acts as an inhibitor of glycerophosphoinositol biosynthesis. It has the role of fungal metabolite . It has the role of glycerophosphoinositol synthesis inhibitor . It is also related to or classified as tertiary alcohol  . It is also related to or classified as terpene lactone , olefinic compound .
The molecule C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C is (3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule [H][C@@]12CC[C@@]3(C)[C@@]([H])(C1)[C@@H](C)CC[C@@]3(O)C2(C)C [H][C@@]12CC[C@@]3(C)[C@@]([H])(C1)[C@@H](C)CC[C@@]3(O)C2(C)C is A carbotricyclic compound and sesquiterpenoid tertiary alcohol that is tricyclo[5.3.1.0(3,8)]undecan-3-ol which is substituted at positions 2, 2, 6 and 8 by methyl groups (the 1R,3R,6S,7S,8S-diastereoisomer).  It is also related to or classified as tertiary alcohol  . It is also related to or classified as sesquiterpenoid , carbotricyclic compound .
The molecule C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)C1=O C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)C1=O is 9-Fluoro-11beta-hydroxy-16beta-methylandrosta-1,4-diene-3,17-dione. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule COCc1c(F)c(F)c(COC(=O)C2C(\C=C\C)C2(C)C)c(F)c1F COCc1c(F)c(F)c(COC(=O)C2C(\C=C\C)C2(C)C)c(F)c1F is Metofluthrin. Its functional parent is benzyl alcohol . It is also related to or classified as carboxylic ester  .
The molecule C[C@@H]1O[C@H](C=C1)[C@H](N)C(O)=O C[C@@H]1O[C@H](C=C1)[C@H](N)C(O)=O is A non-proteinogenic L-alpha-amino acid that is L-alanine in which the methyl group is replaced by a (2R,5S)-5-methyl-2,5-dihydrofuran-2-yl moiety. It has the role of antimicrobial agent . It has the role of antibacterial agent . It has the role of bacterial metabolite . It is also related to or classified as dihydrofuran , non-proteinogenic L-alpha-amino acid .
The molecule C[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]23)C[C@@H]1O C[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]23)C[C@@H]1O is 2alpha-Methyl-5alpha-androstane-3alpha,17beta-diol. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1C[C@H](F)C2=O C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1C[C@H](F)C2=O is 16beta-Fluoroandrost-4-ene-3,17-dione. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .