mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>OC1CCC(CC1)C(O)=O</smiles> is A 4-hydroxy monocarboxylic acid that is cyclohexane substituted by a carboxy group at position 1 and a hydroxy group at position 4. It has the role of human urinary metabolite. Its functional parent is cyclohexanecarboxylic acid. It is also related to or classified as 4-hydroxy monocarboxylic acid.
The molecule <smiles>OCC(=O)COP(O)(O)=O</smiles> is A member of the class of glycerone phosphates that consists of glycerone bearing a single phospho substituent. It has the role of mouse metabolite. It has the role of Saccharomyces cerevisiae metabolite. It has the role of Escherichia coli metabolite. It has the role of human metabolite. Its functional parent is dihydroxyacetone. It is a conjugate acid of glycerone phosphate(2-). It is also related to or classified as primary alpha-hydroxy ketone . It is also related to or classified as glycerone phosphates.
The molecule <smiles>CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O</smiles> is A disaccharide derivative comprising methyl alpha-D-galactoside having an alpha-D-galactosyl residue at the 3-position. Its functional parent is alpha-D-galactose. It is also related to or classified as methyl glycoside, disaccharide derivative.
The molecule <smiles>O1[C@@H]([C@@H](O)C(O)C(O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(OC)C3)C4=CC(OC)=C(O)C=C4)COC(=O)C</smiles> is Rhamnazin 3-(6''-acetylglucoside). It is also related to or classified as glycoside . It is also related to or classified as flavonoids.
The molecule <smiles>Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O</smiles> is A purine ribonucleoside 5'-tetraphosphate having adenine as the nucleobase. It is a conjugate acid of adenosine 5'-tetraphosphate(5-). It is also related to or classified as purine ribonucleoside 5'-tetraphosphate, adenosine 5'-phosphate.
The molecule <smiles>CC(C)=CCC\C(C)=C\C=C</smiles> is an alkatriene consisting of 4,8-dimethylnonane having the three double bonds in the 1-, 3- and 7-positions. It is also related to or classified as alkatriene .
The molecule <smiles>NC1=NC=CC2=C1N=C(SC3=C(N(C)C)C=C4OCOC4=C3)N2CCNCC(C)(C)C</smiles> is A novel heat shock protein (HSP) 90 inhibitor; HSP90 is a chaperone that promotes the activity of a wide range of client proteins including key proinflammatory molecules involved in aberrant inflammation. RGRN-305 can target HSP90 as a novel mechanism of action in treating multiple immune-mediated inflammatory skin diseases. It is also related to or classified as organic molecular entity.
The molecule <smiles>O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC(=O)/C=C/C2=CC(OC)=C(O)C=C2)C(O)=O</smiles> is Feruloyl C1-glucuronide. Its functional parent is hydroxycinnamic acid. It is also related to or classified as glycoside .
The molecule <smiles>CCSCCSP(=S)(OC)OC</smiles> is thiometon. It has the role of acaricide. It has the role of agrochemical. It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor. Its functional parent is 2-(ethylsulfanyl)ethanethiol. It is also related to or classified as organothiophosphate insecticide, organosulfur compound, organic thiophosphate.
The molecule <smiles>OC=1NC(=O)C=C(C1)C(O)=O</smiles> is CITRAZINIC ACID. It is also related to or classified as pyridines, aromatic carboxylic acid.
The molecule <smiles>FC(F)OC(Cl)C(F)(F)F</smiles> is isoflurane. It has the role of inhalation anaesthetic. Its functional parent is methoxyethane. It is also related to or classified as organofluorine compound .
The molecule <smiles>NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(N)O)[C@@H](O)[C@H]3O</smiles> is the phosphoramadite analogue of AMP. It has the role of Mycoplasma genitalium metabolite. Its functional parent is adenosine 5'-monophosphate. It is a conjugate acid of adenosine 5'-phosphoramidate(1-). It is also related to or classified as organic phosphoramidate.
The molecule <smiles>O=C(OC[C@@H](O)CO)C1=C(O)C(=CC=C1C)C</smiles> is Glycerol 1-hydroxy-2,5-dimethyl benzoate. Its functional parent is salicylic acid. It is also related to or classified as phenols . It is also related to or classified as benzoate ester.
The molecule <smiles>CCOP(=S)(OCC)OP(=S)(OCC)OCC</smiles> is sulfotep. It has the role of acaricide. It has the role of agrochemical. It has the role of EC 3.1.1.8 (cholinesterase) inhibitor. It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor. Its functional parent is dithiodiphosphoric acid. It is also related to or classified as organothiophosphate insecticide, organic thiophosphate.
The molecule <smiles>[H]C(CCC(C)=C([H])CCC(C)=C([H])CCC(C)=C([H])COP(O)(=O)OP(O)(O)=O)=C(C)CCC=C(C)C</smiles> is A polyprenol diphosphate compound having five prenyl units with undefined stereochemistry about the double bonds. It has the role of Saccharomyces cerevisiae metabolite. It is also related to or classified as polyprenyl diphosphate.
The molecule <smiles>[NH4+].[NH4+].Cl[Pd--](Cl)(Cl)Cl</smiles> is A salt comprising separate ammonium cations and square planar [PdCl4](2-) anions. It is also related to or classified as ammonium salt.
The molecule <smiles>[H]C(=O)c1ccccc1O</smiles> is A hydroxybenzaldehyde carrying a hydroxy substituent at position 2. It has the role of nematicide. It has the role of plant metabolite. It is also related to or classified as hydroxybenzaldehyde .
The molecule <smiles>Cl.CC(C)NCC(Cl)C1=CC2=CC=CC=C2C=C1</smiles> is A hydrochloride obtained by combining N-[2-chloro-2-(naphthalen-2-yl)ethyl]propan-2-amine with one molar equivalent of hydrochloric acid. It has the role of mutagen. It is also related to or classified as hydrochloride.
The molecule <smiles>CCOP(=S)(OCC)Oc1ncn(n1)-c1ccccc1</smiles> is triazophos. It has the role of acaricide. It has the role of nematicide. It has the role of agrochemical. It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor. Its functional parent is 1-phenyl-1H-1,2,4-triazol-3-ol. It is also related to or classified as organothiophosphate insecticide, organic thiophosphate.
The molecule <smiles>[NH4+].[NH4+].Cl[Pt--](Cl)(Cl)Cl</smiles> is A salt comprising separate ammonium cations and square planar [PtCl4](2-) anions. It is also related to or classified as ammonium salt.
The molecule <smiles>[H]C(CC(=O)c1ccccc1)=CC(=O)C(O)=O</smiles> is A dioxo monocarboxylic acid that is 6-phenylhexa-3-enoic acid bearing oxo substituents at positions 2 and 6. It is a conjugate acid of 2,6-dioxo-6-phenylhexa-3-enoate.  It is also related to or classified as enone . It is also related to or classified as dioxo monocarboxylic acid, aromatic ketone.
The molecule <smiles>CC(N)C(N)CCCCCC(O)=O</smiles> is an amino fatty acid carrying amino substituents at positions 7 and 8. Some of its isomers are naturally occurring intermediates of biotin synthesis, and targets of antimicrobial and herbicide development. Its functional parent is nonanoic acid. It is a conjugate acid of 7,8-diaminononanoate. It is also related to or classified as amino monocarboxylic acid, amino fatty acid.
The molecule <smiles>O[C@H]1[C@@]2([C@]([C@]3([C@@]([C@](CC3)([C@@H](CC[C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)CO)C(O)(C)C)C)[H])(C1)C)C)(CC=C6[C@]2(CC[C@H](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO)C6(C)C)[H])[H])C</smiles> is mogroside III. It has the role of plant metabolite.  It is also related to or classified as beta-D-glucoside . It is also related to or classified as mogroside.
The molecule <smiles>[NH3+][C@@H](C[SeH])C(O)=O</smiles> is A selenocysteinium that has L configuration. It is a conjugate acid of L-selenocysteine. It is also related to or classified as selenocysteinium .
The molecule <smiles>O[C@@H]1CC2C(N[C@H]1C)CCC[C@@H]2CCCC[C@@H](O)CCC</smiles> is Lepadin D. It is also related to or classified as organic heterobicyclic compound, organonitrogen heterocyclic compound.
The molecule <smiles>Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O</smiles> is an adenosine bisphosphate having two monophosphate groups at the 3'- and 5'-positions. It has the role of mouse metabolite. It has the role of Escherichia coli metabolite. It is a conjugate acid of adenosine 3',5'-bismonophosphate(4-). It is also related to or classified as adenosine bisphosphate.
The molecule <smiles>Cl[Rh--](Cl)(Cl)(Cl)(Cl)Cl</smiles> is A perchlorometallate anion having six chlorines and rhodium(IV) as the metal component. It is also related to or classified as rhodium coordination entity, perchlorometallate anion.
The molecule <smiles>OC[C@@H](OP([O-])([O-])=O)C([O-])=O</smiles> is an organophosphate oxoanion arising from deprotonation of the phosphate OH and carboxy groups of 2-phospho-D-glyceric acid; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite. It has the role of human metabolite. It is also related to or classified as hydroxy monocarboxylic acid anion, organophosphate oxoanion.
The molecule <smiles>O(C=1C=C(CCNCCCC(C2=CC(OC)=C(OC)C=C2)(C(C)C)C#N)C=CC1OC)C</smiles> is A secondary amino compound that is 3,4-dimethoxyphenylethylamine in which one of the hydrogens attached to the nitrogen has been replaced by a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group. It is also related to or classified as nitrile .  It is also related to or classified as polyether . It is also related to or classified as aromatic ether, secondary amino compound.
The molecule <smiles>COCOC</smiles> is an  acetal that is the dimethyl acetal derivative of formaldehyde. Its functional parent is methanediol. It is also related to or classified as diether, acetal.
The molecule <smiles>O1[C@@H](OC=2C([C@]3(OC4=C(C(=O)C3)C(O)=CC(OC)=C4OC)[H])=C(OC)C=CC2)C(O)[C@@H](O)[C@H](O)C1C(O)=O</smiles> is 5,2'-Dihydroxy-7,8,6'-trimethoxyflavanone 2'-O-glucuronide. It is also related to or classified as ether . It is also related to or classified as flavonoids.
The molecule <smiles>C(C(O)=O)C/C=C\C/C=C\C\C=C/C=C/C(C/C=C\C/C=C\CC)O</smiles> is A hydroxydocosahexaenoic acid that consists of (4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acid bearing an additional 14-hydroxy substituent. It has the role of human xenobiotic metabolite. It is a conjugate acid of 14-HDoHE(1-). It is also related to or classified as secondary allylic alcohol . It is also related to or classified as hydroxydocosahexaenoic acid.
The molecule <smiles>[NH4+].[NH4+].Cl[Rh--](Cl)(Cl)(Cl)(Cl)Cl</smiles> is A salt comprising separate ammonium cations and octahedral [RhCl6](3-) anions. It is also related to or classified as ammonium salt.
The molecule <smiles>C(\CC)=C\C/C=C\C\C=C/C=C/[C@@H](C/C=C\CCCC(=O)[O-])OO</smiles> is (5Z,9E,11Z,14Z,17Z)-8-hydroperoxyicosapentaenoate in which the 8-hydroperoxy group has R-configuration. It is also related to or classified as (5Z,9E,11Z,14Z,17Z)-8-hydroperoxyicosapentaenoate .
The molecule <smiles>S(OC1=C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC=C(OC)C=C3)(O)(=O)=O</smiles> is Kaempferide 3-O-sulfate. It is also related to or classified as ether . It is also related to or classified as flavonoids.
The molecule <smiles>O1C(C(O)C(O)C(O)C1OC(=O)/C=C/C2=CC=C(O)C=C2)CO</smiles> is 1-O-p-Coumaroyl-beta-D-glucose. Its functional parent is hydroxycinnamic acid. It is also related to or classified as glycoside .
The molecule <smiles>Cl[Ru--](Cl)(Cl)(Cl)(Cl)Cl</smiles> is A perchlorometallate anion having six chlorines and ruthenium(IV) as the metal component. It is also related to or classified as ruthenium coordination entity, perchlorometallate anion.
The molecule <smiles>Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O</smiles> is A ribonucleoside composed of a molecule of adenine attached to a ribofuranose moiety via a beta-N(9)-glycosidic bond. It has the role of analgesic. It has the role of vasodilator agent. It has the role of anti-arrhythmia drug. It has the role of human metabolite. It has the role of fundamental metabolite. Its functional parent is adenine. It is also related to or classified as purines D-ribonucleoside . It is also related to or classified as adenosines.
The molecule <smiles>P(OC[C@@H](COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCCCCC)=O)(=O)(OCCN)O</smiles> is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are specified as hexadecanoyl and icosanoyl respectively. It has the role of mouse metabolite. It has the role of rat metabolite. Its functional parent is hexadecanoic acid. Its functional parent is icosanoic acid. It is also related to or classified as phosphatidylethanolamine 36:0 . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine .
The molecule <smiles>[NH4+].[NH4+].Cl[Ru--](Cl)(Cl)(Cl)(Cl)Cl</smiles> is A salt comprising separate ammonium cations and octahedral [RuCl6](2-) anions. It is also related to or classified as ammonium salt.
The molecule <smiles>CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1</smiles> is d-Ribitol in which the hydroxy group at position 5 is substituted by a 7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl moiety. It is a nutritional factor found in milk, eggs, malted barley, liver, kidney, heart, and leafy vegetables, but the richest natural source is yeast. The free form occurs only in the retina of the eye, in whey, and in urine; its principal forms in tissues and cells are as flavin mononucleotide and flavin-adenine dinucleotide. It has the role of antioxidant. It has the role of cofactor. It has the role of photosensitizing agent. It has the role of anti-inflammatory agent. It has the role of mouse metabolite. It has the role of plant metabolite. It has the role of Escherichia coli metabolite. It has the role of food colouring. It has the role of fundamental metabolite. It has the role of human urinary metabolite. It is a conjugate acid of riboflavin(1-).  It is also related to or classified as flavin . It is also related to or classified as vitamin B2.
The molecule <smiles>Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O</smiles> is A purine arabinonucleoside monophosphate having 2-fluoroadenine as the nucleobase. A prodrug, it is rapidly dephosphorylated to 2-fluoro-ara-A and then phosphorylated intracellularly by deoxycytidine kinase to the active triphosphate, 2-fluoro-ara-ATP. Once incorporated into DNA, 2-fluoro-ara-ATP functions as a DNA chain terminator. It is used for the treatment of adult patients with B-cell chronic lymphocytic leukemia (CLL) who have not responded to, or whose disease has progressed during, treatment with at least one standard alkylating-agent containing regimenas. It has the role of antiviral agent. It has the role of antimetabolite. It has the role of antineoplastic agent. It has the role of immunosuppressive agent. It has the role of prodrug. It has the role of DNA synthesis inhibitor. Its functional parent is 2-fluoroadenine. It is also related to or classified as organofluorine compound . It is also related to or classified as purine arabinonucleoside monophosphate, nucleoside analogue.
The molecule <smiles>P(OC[C@@H](COC(CCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCCCCCCC)=O)(=O)(OCCN)O</smiles> is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are specified as tetradecanoyl and docosanoyl respectively. It has the role of mouse metabolite. It has the role of rat metabolite. Its functional parent is tetradecanoic acid. Its functional parent is docosanoic acid. It is also related to or classified as phosphatidylethanolamine 36:0 . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine .
The molecule <smiles>Cl[Ir--](Cl)(Cl)(Cl)(Cl)Cl</smiles> is A perchlorometallate anion having six chlorines and rhodium(IV) as the metal component. It is also related to or classified as perchlorometallate anion, iridium coordination entity.
The molecule <smiles>[O-][Sb]([O-])[O-]</smiles> is A trivalent inorganic anion obtained by removal of all three protons from antimonous acid. It is also related to or classified as antimony oxoanion, trivalent inorganic anion.
The molecule <smiles>P(OC[C@@H](COC(CCCCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCC)=O)(=O)(OCC[N+](C)(C)C)[O-]</smiles> is A 1,2-diacyl-sn-glycero-3-phosphocholine in which the 1- and 2-acyl groups are specified as octadecanoyl and penttadecanoyl respectively. It has the role of mouse metabolite. It has the role of rat metabolite. Its functional parent is octadecanoic acid. Its functional parent is pentadecanoic acid. It is also related to or classified as phosphatidylcholine 33:0 .
The molecule <smiles>CC(CCC[C@@H]1[C@H](CCC1=O)CC(O)=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O</smiles> is A monosaccharide derivative that is (-)-11-hydroxy-9,10-dihydrojasmonic acid attached to a beta-D-glucopyranosyl residue at position 11 via a glycosidic linkage. It has the role of plant metabolite. Its functional parent is (-)-11-hydroxy-9,10-dihydrojasmonic acid. It is also related to or classified as beta-D-glucoside . It is also related to or classified as dihydrojasmonic acid, monosaccharide derivative.
The molecule <smiles>C(C(CO)OP(=O)(O)O)(O)=O</smiles> is A monophosphoglyceric acid having the phospho group at the 2-position. Its functional parent is glyceric acid. It is a conjugate acid of 2-phosphoglycerate(3-). It is also related to or classified as monophosphoglyceric acid, tetronic acid derivative.
The molecule <smiles>O=C(CCC/C=C\C/C=C\CC(/C=C/C(C(CCCCC)O)O)O)O</smiles> is A trihydroxyicosatrienoic acid that is (5Z,8Z,12E)-icosatrienoic acid in which the three hydroxy groups are located at positions 11, 14 and 15. It has the role of mouse metabolite. It is a conjugate acid of 11,14,15-trihydroxy-(5Z,8Z,12E)-icosatrienoate(1-). It is also related to or classified as secondary allylic alcohol . It is also related to or classified as trihydroxyicosatrienoic acid.
The molecule <smiles>[NH4+].[NH4+].Cl[Ir--](Cl)(Cl)(Cl)(Cl)Cl</smiles> is A salt comprising separate ammonium cations and octahedral [IrCl6](2-) anions. It is also related to or classified as ammonium salt.
The molecule <smiles>CCOC(=O)[C@H](CCC(=O)C=[N+]=[N-])NC(=O)[C@@H](N)CC(C)C</smiles> is an ethyl ester resulting from the formal condensation of the carboxy group of L-leucyl-6-diazo-5-oxo-L-norleucine with ethanol. It is a glutaminase inhibitor and a prodrug of 6-diazo-5-oxo-L-norleucine that exhibits antineoplastic activity. It has the role of antineoplastic agent. It has the role of prodrug. It has the role of EC 3.5.1.2 (glutaminase) inhibitor. It is also related to or classified as secondary carboxamide . It is also related to or classified as ketone . It is also related to or classified as ethyl ester . It is also related to or classified as L-leucine derivative, diazo compound.
The molecule <smiles>P(OC[C@@H](COC(CCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCCC)=O)(=O)(OCC[N+](C)(C)C)[O-]</smiles> is A 1,2-diacyl-sn-glycero-3-phosphocholine in which the 1- and 2-acyl groups are specified as pentadecanoyl and octadecanoyl respectively. It has the role of mouse metabolite. It has the role of rat metabolite. Its functional parent is octadecanoic acid. Its functional parent is pentadecanoic acid. It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphocholine .
The molecule <smiles>Cl[Rh-3](Cl)(Cl)(Cl)(Cl)Cl</smiles> is A perchlorometallate anion having six chlorines and rhodium(III) as the metal component. It is also related to or classified as rhodium coordination entity, perchlorometallate anion.
The molecule <smiles>O(C[C@@H](C(=O)O)N)[C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO</smiles> is O-(alpha-D-mannosyl)-L-serine. It is also related to or classified as O-glycosyl-L-serine . It is also related to or classified as non-proteinogenic L-alpha-amino acid.
The molecule <smiles>c1ccc(cc1)[Sb+](c1ccccc1)(c1ccccc1)c1ccccc1</smiles> is A polyatomic cation consisting of four phenyl groups attached to stibonium. It is also related to or classified as polyatomic cation.
The molecule <smiles>N(C(CCCCCCC/C=C\CCCCCCCC)=O)[C@H]([C@@H](CCCCCCCCCCCCCCC)O)COP(=O)([O-])OCC[N+](C)(C)C</smiles> is an N-octadecenoylsphinganine-1-phosphocholine obtained by formal condensation of the carboxy group of oleic acid with the amino group of sphinganine-1-phosphocholine. It has the role of mouse metabolite. It has the role of rat metabolite. Its functional parent is oleic acid. It is also related to or classified as N-octadecenoylsphinganine-1-phosphocholine .
The molecule <smiles>O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(C=3O[C@@H](CC(=O)C3C(O)=C2)C4=CC=C(O)C=C4)C/C=C(/CO)\C)CO</smiles> is Phellodensin E. It is also related to or classified as glycoside . It is also related to or classified as flavonoids.
The molecule <smiles>OCCCCC[C@@H]1[C@H](CCC1=O)CC(O)=O</smiles> is (-)-12-hydroxy-9,10-dihydrojasmonic acid. It is also related to or classified as dihydrojasmonic acid, oxo monocarboxylic acid.
The molecule <smiles>[NH4+].[NH4+].[NH4+].Cl[Rh-3](Cl)(Cl)(Cl)(Cl)Cl</smiles> is A salt comprising separate ammonium cations and octahedral [RhCl6](3-) anions. It is also related to or classified as ammonium salt.
The molecule <smiles>CCCCOC(=O)c1ccc([NH3+])cc1</smiles> is an ammonium ion resulting from the protonation of the amino group of butamben. It is a conjugate acid of butamben. It is also related to or classified as ammonium ion derivative.
The molecule <smiles>C(CCCCCCCCCC)CCCC[C@@H](O)[C@@H](NC(CCCCCCCCC/C=C\CCCCCC)=O)COP(=O)([O-])OCC[N+](C)(C)C</smiles> is an N-octadecenoylsphinganine-1-phosphocholine obtained by formal condensation of the carboxy group of (11Z)-octadecenoic acid with the amino group of sphinganine-1-phosphocholine. It has the role of mouse metabolite. It has the role of rat metabolite. Its functional parent is cis-vaccenic acid. It is also related to or classified as N-octadecenoylsphinganine-1-phosphocholine .
The molecule <smiles>O1C([C@H](O)C(O)[C@H](O)[C@@H]1OC2=CC=C(C=C2)C=3OC4=C(C(=O)C3O)C(OC)=C(O)C(O)=C4)C</smiles> is Vogelin. It is also related to or classified as glycoside . It is also related to or classified as flavonoids.
The molecule <smiles>Cl[Pd--](Cl)(Cl)(Cl)(Cl)Cl</smiles> is A perchlorometallate anion having six chlorines and palladium(IV) as the metal component. It is also related to or classified as perchlorometallate anion, palladium coordination entity.
The molecule <smiles>OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc3C[C@@H](C([O-])=O)\[N+](=C/C=C4C[C@H](NC(=C\4)C(O)=O)C(O)=O)c3cc2O)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is Bougainvillein-r-I. Its functional parent is betanidin. It is also related to or classified as sophoroside . It is also related to or classified as betalain.
The molecule <smiles>[H]O[Sb](O[H])O[H]</smiles> is antimonous acid. It is a conjugate acid of antimonite. It is also related to or classified as antimony oxoacid.
The molecule <smiles>O(P(=O)(OCCNC(=O)CCCCCCCCCCCCCCC)[O-])C[C@H](OC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O</smiles> is an N-acylphosphatidylethanolamine(1-) obtained by deprotonation of the phosphate group of N-hexadecanoyl-1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine; major species at pH 7.3. It is also related to or classified as N-acylphosphatidylethanolamine(1-) .
The molecule <smiles>O[C@@H]([C@@H](C)/C=C/C(O)=O)CC</smiles> is Mycinonic acid I. It is also related to or classified as medium-chain fatty acid .
The molecule <smiles>[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCC([O-])=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](C2)OS([O-])(=O)=O</smiles> is A steroid sulfate oxoanion and N-acylglycinate that is the dianion of sulfoglycolithocholic acid arising from deprotonation of carboxylic acid and sulfate functions; major species at pH 7.3. It has the role of human metabolite.  It is also related to or classified as N-acylglycinate . It is also related to or classified as sulfoglycolithocholate anion, steroid sulfate oxoanion.
The molecule <smiles>O[C@H]1[C@@]2([C@]([C@]3([C@@]([C@](CC3)([C@@H](CC[C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)CO[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)C(O)(C)C)C)[H])(C1)C)C)(CC=C7[C@]2(CC[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O[C@@H]9O[C@@H]([C@@H](O)[C@H](O)[C@H]9O)CO)CO[C@@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@H]%10O)CO)C7(C)C)[H])[H])C</smiles> is mogroside VI. It has the role of plant metabolite.  It is also related to or classified as beta-D-glucoside . It is also related to or classified as mogroside.