mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC</smiles> is A 1-phosphatidyl-1D-myo-inositol 3-phosphate in which both phosphatidyl acyl groups are specified as palmitoyl (hexadecanoyl). Its functional parent is hexadecanoic acid. It is also related to or classified as 1-phosphatidyl-1D-myo-inositol 3-phosphate . It is also related to or classified as 1,2-dipalmitoylglycero-3-phospho-(1'-D-myo-inositol-3'-phosphate) .
The molecule <smiles>CC(C)CN(C[C@@H](OP(O)(O)=O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1</smiles> is A sulfonamide with a structure based on that of sulfanilamide substituted on the sulfonamide nitrogen by a (2R,3S)-4-phenyl-2-(phosphonooxy)-3-({[(3S)-tetrahydrofuran-3-yloxy]carbonyl}amino)butyl group. It is a pro-drug of the HIV protease inhibitor and antiretroviral drug amprenavir. It has the role of prodrug. Its functional parent is sulfanilamide. It is also related to or classified as sulfonamide .
The molecule <smiles>[Na+].C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C([O-])=O</smiles> is an organic sodium salt that has 17beta-estradiol 17-glucosiduronate as the anion. It is also related to or classified as organic sodium salt.
The molecule <smiles>[H+].[H+].COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C</smiles> is an organic cation obtained by protonation of the imidazole groups of daclatasvir. It is a conjugate acid of daclatasvir. It is also related to or classified as organic cation.
The molecule <smiles>CN1C(=O)C(O)=C(N=C1C(C)(C)NC(=O)C1=NN=C(C)O1)C(=O)NCC1=CC=C(F)C=C1</smiles> is A pyrimidone that is pyrimidin-4(3H)-one in which the hydrogens at positions 2, 3, 5 and 6 are replaced by 2-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]propan-2-yl, methyl, hydroxy, and N-[(4-fluorophenyl)methyl]aminoacyl groups, respectively. It is an antiretroviral drug used for treatment of HIV infection. It has the role of antiviral drug. It has the role of HIV-1 integrase inhibitor. It is also related to or classified as secondary carboxamide .     It is also related to or classified as monofluorobenzenes . It is also related to or classified as dicarboxylic acid amide, pyrimidone, hydroxypyrimidine, 1,2,4-oxadiazole.
The molecule <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP(O)(O)=O)NC(=O)CCCCC</smiles> is A ceramide 1-phosphate in which the ceramide N-acyl group is specified as hexanoyl. Its functional parent is hexanoic acid. It is a conjugate acid of N-hexanoylsphingosine 1-phosphate(2-). It is also related to or classified as N-acylsphingosine 1-phosphate .
The molecule <smiles>CC(C)N1CCN(CC1)c1ccc(OCC2COC(Cn3cncn3)(O2)c2ccc(Cl)cc2Cl)cc1</smiles> is A dioxolane that is 1,3-dioxolane which is substituted at positions 2, 2, and 4 by 2,4-dichlorophenyl, 1H-1,2,4-triazol-1-ylmethyl, and [4-(4-isopropylpiperazin-1-yl)phenoxy]methyl groups, respectively. It is also related to or classified as dichlorobenzene . It is also related to or classified as aromatic ether, triazoles, dioxolane, N-alkylpiperazine, N-arylpiperazine, cyclic ketal.
The molecule <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])([O-])=O)NC(=O)CCCCC</smiles> is A ceramide 1-phosphate(2-) in which the ceramide N-acyl group is specified as hexanoyl; major species at pH 7.3. It is also related to or classified as N-acylsphingosine 1-phosphate(2-) .
The molecule <smiles>CC(C)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@@](Cn3cncn3)(O2)c2ccc(Cl)cc2Cl)cc1</smiles> is A 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine in which positions 2 and 4 of the 1,3-dioxolane moiety have R and S configuration, respectively. It is also related to or classified as 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine .
The molecule <smiles>COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C</smiles> is A member of the class of biphenyls that is a potent inhibitor of nonstructural protein 5A and is used (as its hydrochloride salt) for treatment of hepatitis C. It has the role of antiviral drug. It has the role of nonstructural protein 5A inhibitor.     It is also related to or classified as carboxamide . It is also related to or classified as biphenyls, carbamate ester, imidazoles, valine derivative.
The molecule <smiles>Cc1nc2[C@@H](O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12</smiles> is A 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one that is the (S)-enantiomer of paliperidone. It is also related to or classified as 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one .
The molecule <smiles>CC(C)CCCCCCOS([O-])(=O)=O</smiles> is an organosulfate oxoanion that is the conjugate base of 7-methyloctyl hydrogen sulfate. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is also related to or classified as organosulfate oxoanion .
The molecule <smiles>COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45</smiles> is an organic heteropentacyclic compound that is naloxone in which the keto group is replaced by a PEG moiety. Used for treatment of opioid-induced constipation. It has the role of mu-opioid receptor antagonist. It has the role of cathartic. Its functional parent is naloxone. It is also related to or classified as tertiary alcohol . It is also related to or classified as phenols .   It is also related to or classified as polyether . It is also related to or classified as aromatic ether, organic heteropentacyclic compound.
The molecule <smiles>CC(C)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3cncn3)(O2)c2ccc(Cl)cc2Cl)cc1</smiles> is A 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine in which positions 2 and 4 of the 1,3-dioxolane moiety have S and R configuration, respectively. It is also related to or classified as 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine .
The molecule <smiles>NC(CCC(=O)NC(Cc1ccccc1)C(O)=O)C(O)=O</smiles> is A dipeptide composed of glutamic acid and phenylalanine joined together by a peptide linkage. It has the role of human metabolite. Its functional parent is glutamic acid. Its functional parent is phenylalanine. It is also related to or classified as dipeptide .
The molecule <smiles>CCC(CO)C([O-])=O</smiles> is A hydroxy fatty acid anion that is the conjugate base of 2-(hydroxymethyl)butanoic acid. It has the role of human metabolite. It is also related to or classified as hydroxy fatty acid anion.
The molecule <smiles>CC(C)CCCC\C=C/CCOS([O-])(=O)=O</smiles> is an organosulfate oxoanion that is the conjugate base of (3Z)-9-methyldec-3-en-1-yl hydrogen sulfate. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is also related to or classified as organosulfate oxoanion .
The molecule <smiles>CC(C)CCCC\C=C/CCOS(O)(=O)=O</smiles> is A sulfuric ester obtained by the formal condensation of (3Z)-9-methyldec-3-en-1-ol with sulfuric acid. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is a conjugate acid of (3Z)-9-methyldec-3-en-1-yl sulfate.  It is also related to or classified as sulfuric ester . It is also related to or classified as organic sulfate.
The molecule <smiles>CC(C)CCCCCCOS(O)(=O)=O</smiles> is an alkyl sulfate that is 7-methyloctyl ester of sulfuric acid. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is a conjugate acid of 7-methyloctyl sulfate. It is also related to or classified as alkyl sulfate.
The molecule <smiles>CCCCC\C=C/C\C=C/CCCCCCCC(N)=O</smiles> is A fatty amide obtained from  linoleic acid. It has the role of human metabolite. Its functional parent is linoleic acid. It is also related to or classified as primary fatty amide .
The molecule <smiles>CC\C=C/C\C=C/CCCOS(O)(=O)=O</smiles> is A  sulfuric ester obtained by the formal condensation of (4Z,7Z)-deca-4,7-dien-1-ol with sulfuric acid. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is a conjugate acid of (4Z,7Z)-deca-4,7-dien-1-yl sulfate.  It is also related to or classified as sulfuric ester . It is also related to or classified as organic sulfate.
The molecule <smiles>CCCCCCCC\C=C/CCOS(O)(=O)=O</smiles> is A sulfuric ester obtained by the formal condensation of (3Z)-dodec-3-en-1-ol with sulfuric acid. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is a conjugate acid of (3Z)-dodec-3-en-1-yl sulfate.  It is also related to or classified as sulfuric ester . It is also related to or classified as organic sulfate.
The molecule <smiles>CC\C=C/C\C=C/CCCOS([O-])(=O)=O</smiles> is an organosulfate oxoanion that is the conjugate base of (4Z,7Z)-deca-4,7-dien-1-yl hydrogen sulfate. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is also related to or classified as organosulfate oxoanion .
The molecule <smiles>CCCCCC\C=C/CCNS([O-])(=O)=O</smiles> is an  organic sulfamate oxoanion that is the conjugate base of (3Z)-dec-3-en-1-ylsulfamic acid. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is also related to or classified as organic sulfamate oxoanion .
The molecule <smiles>CCCCC\C=C/C\C=C/CCNS(O)(=O)=O</smiles> is A member of the class of sulfamic acids that is sulfamic acid in which one of the amino hydrogens has been replaced by a (3Z,6Z)-dodeca-3,6-dien-1-yl group. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is a conjugate acid of (3Z,6Z)-dodeca-3,6-dien-1-ylsulfamate. It is also related to or classified as sulfamic acids.
The molecule <smiles>CCCCCCCC\C=C/CCOS([O-])(=O)=O</smiles> is an organosulfate oxoanion that is the conjugate base of (3Z)-dodec-3-en-1-yl hydrogen sulfate. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is also related to or classified as organosulfate oxoanion .
The molecule <smiles>CCCCCC\C=C/CCNS(O)(=O)=O</smiles> is A member of the class of sulfamic acids that is sulfamic acid in which one of the amino hydrogens has been replaced by a (3Z)-dec-3-en-1-yl group. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is a conjugate acid of (3Z)-dec-3-en-1-ylsulfamate. It is also related to or classified as sulfamic acids.
The molecule <smiles>CCCCCC\C=C\CCOS(O)(=O)=O</smiles> is A sulfuric ester obtained by the formal condensation of (3E)-dec-3-en-1-ol with sulfuric acid. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is a conjugate acid of (3E)-dec-3-en-1-yl sulfate.  It is also related to or classified as sulfuric ester . It is also related to or classified as organic sulfate.
The molecule <smiles>CCCCCCCCCNS([O-])(=O)=O</smiles> is an organic sulfamate oxoanion that is the conjugate base of nonylsulfamic acid. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is also related to or classified as organic sulfamate oxoanion .
The molecule <smiles>CCCCCCCCCNS(O)(=O)=O</smiles> is A member of the class of sulfamic acids that is sulfamic acid in which one of the amino hydrogens has been replaced by a nonyl group. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is a conjugate acid of nonylsulfamate. It is also related to or classified as sulfamic acids.
The molecule <smiles>CCCCCC\C=C\CCOS([O-])(=O)=O</smiles> is an organosulfate oxoanion that is the conjugate base of (3E)-dec-3-en-1-yl hydrogen sulfate. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is also related to or classified as organosulfate oxoanion .
The molecule <smiles>CCCCCCCCCCNS([O-])(=O)=O</smiles> is an organic sulfamate oxoanion that is the conjugate base of decylsulfamic acid. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is also related to or classified as organic sulfamate oxoanion .
The molecule <smiles>CCCCCCCCCCNS(O)(=O)=O</smiles> is A member of the class of sulfamic acids that is sulfamic acid in which one of the amino hydrogens has been replaced by a decyl group. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is a conjugate acid of decylsulfamate. It is also related to or classified as sulfamic acids.
The molecule <smiles>CC(C)CCCCCCCNS(O)(=O)=O</smiles> is A member of the class of sulfamic acids that is sulfamic acid in which one of the amino hydrogens has been replaced by a (8-methylnonyl) group. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is a conjugate acid of (8-methylnonyl)sulfamate. It is also related to or classified as sulfamic acids.
The molecule <smiles>CCCCC\C=C/C\C=C/CCNS([O-])(=O)=O</smiles> is an organic sulfamate oxoanion that is the conjugate base of (3Z,6Z)-dodeca-3,6-dien-1-ylsulfamic acid. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is also related to or classified as organic sulfamate oxoanion .
The molecule <smiles>CC(C)CCCCCCNS([O-])(=O)=O</smiles> is an organic sulfamate oxoanion that is the conjugate base of (7-methyloctyl)sulfamic acid. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is also related to or classified as organic sulfamate oxoanion .
The molecule <smiles>Cc1nc2[C@H](O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12</smiles> is A 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one that is the (R)-enantiomer of paliperidone. It is also related to or classified as 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one .
The molecule <smiles>CC(C)CCCCCCNS(O)(=O)=O</smiles> is A member of the class of sulfamic acids that is sulfamic acid in which one of the amino hydrogens has been replaced by a (7-methyloctyl) group. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is a conjugate acid of (7-methyloctyl)sulfamate. It is also related to or classified as sulfamic acids.
The molecule <smiles>CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCC\C=C/C\C=C/CCCCC</smiles> is A galactoglycerolipid that consists of 1,2-diacyl-sn-glycerol having (7Z,10Z)-hexadecadienoyl and linoleoyl as the acyl groups and a beta-D-galactopyranosyl residue attached at position 3. It has been found in Daphnia pulex and exhibits cytotoxic activity. It has the role of antineoplastic agent. It has the role of Daphnia pulex metabolite. It is also related to or classified as beta-D-galactopyranosyl diglyceride . It is also related to or classified as monosaccharide derivative.
The molecule <smiles>CC(C)CCCCCCCCNS(O)(=O)=O</smiles> is A member of the class of sulfamic acids that is sulfamic acid in which one of the amino hydrogens has been replaced by a (9-methyldecyl) group. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is a conjugate acid of (9-methyldecyl)sulfamate. It is also related to or classified as sulfamic acids.
The molecule <smiles>CC(C)CCCCCCCNS([O-])(=O)=O</smiles> is an organic sulfamate oxoanion that is the conjugate base of (8-methylnonyl)sulfamic acid. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is also related to or classified as organic sulfamate oxoanion .
The molecule <smiles>CC[C@H](C)CCCCCO</smiles> is an  alkyl alcohol that is 6-methyloctane carrying a hydroxy group at position 1 (the S-stereoisomer). It has the role of Daphnia pulex metabolite. It is also related to or classified as primary alcohol . It is also related to or classified as alkyl alcohol.
The molecule <smiles>CC(C)CCCC(C)CO</smiles> is an alkyl alcohol that is 2,6-dimethylheptane carrying a hydroxy group at position 1. It has the role of Daphnia pulex metabolite. It is also related to or classified as primary alcohol . It is also related to or classified as alkyl alcohol.
The molecule <smiles>CCCCC\C=C/C\C=C/CCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCC\C=C/C\C=C/CCCCC</smiles> is A galactoglycerolipid that consists of 1,2-diacyl-sn-glycerol having two (7Z,10Z)-hexadecadienoyl as the acyl groups and a beta-D-galactopyranosyl residue attached at position 3. It has been found in Daphnia pulex and exhibits cytotoxic activity. It has the role of antineoplastic agent. It has the role of Daphnia pulex metabolite. It is also related to or classified as beta-D-galactopyranosyl diglyceride . It is also related to or classified as monosaccharide derivative.
The molecule <smiles>CC(C)CCCCCCCCNS([O-])(=O)=O</smiles> is an organic sulfamate oxoanion that is the conjugate base of (9-methyldecyl)sulfamic acid. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is also related to or classified as organic sulfamate oxoanion .
The molecule <smiles>CC(C)CCCC(C)COS([O-])(=O)=O</smiles> is an organosulfate oxoanion that is the conjugate base of 2,6-dimethylheptyl hydrogen sulfate. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is also related to or classified as organosulfate oxoanion .
The molecule <smiles>CCCCC\C=C/C\C=C/CCCCCC(=O)O[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)COC(=O)CCCCC\C=C/C\C=C/C\C=C/CC</smiles> is A galactoglycerolipid that consists of 1,2-diacyl-sn-glycerol having (7Z,10Z,13Z)-hexadecatrienoyl and (7Z,10Z)-hexadecadienoyl as the acyl groups and a beta-D-galactopyranosyl residue attached at position 3. It has been found in Daphnia pulex and exhibits cytotoxic activity. It has the role of antineoplastic agent. It has the role of Daphnia pulex metabolite. It is also related to or classified as beta-D-galactopyranosyl diglyceride . It is also related to or classified as monosaccharide derivative.
The molecule <smiles>CC(C)CCC[C@@H](C)CCCOS([O-])(=O)=O</smiles> is an organosulfate oxoanion that is the  conjugate base of (4R)-4,8-dimethylnonyl hydrogen sulfate. It has been isolated from Daphnia pulex and has been found to induce morphological changes in the phytoplankton, Scenedesmus gutwinskii. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is also related to or classified as organosulfate oxoanion .
The molecule <smiles>CC(C)CCC[C@H](C)COS(O)(=O)=O</smiles> is the (S)-enantiomer of 2,6-dimethylheptyl hydrogen sulfate. It is a conjugate acid of (2S)-2,6-dimethylheptyl sulfate. It is also related to or classified as 2,6-dimethylheptyl hydrogen sulfate .
The molecule <smiles>CCCCC\C=C\[C@@H](C)CCOS([O-])(=O)=O</smiles> is an organosulfate oxoanion that is the conjugate base of (3S,4E)-3-methyldec-4-en-1-yl hydrogen sulfate. It has been isolated from Daphnia pulex and has been found to induce morphological changes in the phytoplankton, Scenedesmus gutwinskii. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is also related to or classified as organosulfate oxoanion .
The molecule <smiles>CCCCCCCCNS([O-])(=O)=O</smiles> is an organic sulfamate oxoanion that is the conjugate base of octylsulfamic acid. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is also related to or classified as organic sulfamate oxoanion .
The molecule <smiles>CC(C)CCC[C@@H](C)COS([O-])(=O)=O</smiles> is the (R)-enantiomer of 2,6-dimethylheptyl sulfate. It has been isolated from Daphnia pulex. It is also related to or classified as 2,6-dimethylheptyl sulfate .
The molecule <smiles>CCCCCC\C=C/CCOS(O)(=O)=O</smiles> is A sulfuric ester of (3Z)-dec-3-en-1-ol. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is a conjugate acid of (3Z)-dec-3-en-1-yl sulfate.  It is also related to or classified as sulfuric ester . It is also related to or classified as organic sulfate.
The molecule <smiles>CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCC\C=C/C\C=C/CCCCC</smiles> is A galactoglycerolipid that consists of 1,2-diacyl-sn-glycerol having (7Z,10Z)-hexadecadienoyl and linoleoyl as the acyl groups and a 6-O-(alpha-D-galactopyranosyl)-beta-D-galactopyranosyl residue attached at position 3. It has been found in Daphnia pulex and exhibits cytotoxic activity. It has the role of antineoplastic agent. It has the role of Daphnia pulex metabolite. It is also related to or classified as galactoglycerolipid, disaccharide derivative.
The molecule <smiles>CCCCC\C=C/C\C=C/CCOS([O-])(=O)=O</smiles> is an organosulfate oxoanion that is the conjugate base of (3Z,6Z)-dodeca-3,6-dien-1-yl hydrogen sulfate. Isolated from Daphnia pulex, it induces morphological changes of phytoplankton Scenedesmus gutwinskii. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is also related to or classified as organosulfate oxoanion .
The molecule <smiles>CC\C=C/C\C=C/C\C=C/CCOS([O-])(=O)=O</smiles> is an organosulfate oxoanion that is the conjugate base of (3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl hydrogen sulfate. Isolated from Daphnia pulex, it induces morphological changes of phytoplankton Scenedesmus gutwinskii. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is also related to or classified as organosulfate oxoanion .
The molecule <smiles>CCCCC\C=C/C\C=C/CCOS(O)(=O)=O</smiles> is A sulfuric ester of (3Z,6Z)-dodeca-3,6-dien-1-ol. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is a conjugate acid of (3Z,6Z)-dodeca-3,6-dien-1-yl sulfate.  It is also related to or classified as sulfuric ester . It is also related to or classified as organic sulfate.
The molecule <smiles>CCCCCCCCCCOS([O-])(=O)=O</smiles> is an organosulfate oxoanion that is the conjugate base of decyl hydrogen sulfate. Isolated from Daphnia pulex, it induces morphological changes of phytoplankton Scenedesmus gutwinskii. It has the role of marine metabolite. It has the role of kairomone. It has the role of Daphnia pulex metabolite. It is also related to or classified as organosulfate oxoanion .