anonymous041/ChEBI-Augmented huggingface dataset:
The molecule OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP([O-])([O-])=O OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP([O-])([O-])=O is dianion of D-glucitol 1-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@@]2(C[C@@H](C1)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C([O-])=O)[H])[H])(CC[C@@]4([C@@H](CCC([O-])=O)C)[H])[H])C)[H])C C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@@]2(C[C@@H](C1)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C([O-])=O)[H])[H])(CC[C@@]4([C@@H](CCC([O-])=O)C)[H])[H])C)[H])C is A steroid glucuronide anion that is the conjugate base of lithocholic acid 3-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid functions; major species at pH 7.3.  It is also related to or classified as dicarboxylic acid dianion  . It is also related to or classified as beta-D-glucosiduronate  . It is also related to or classified as steroid glucosiduronic acid anion .
The molecule C(\C([C@H](C/C=C\CC)O)O)=C/C=C/C=C\C/C=C\CCCCCC(=O)O C(\C([C@H](C/C=C\CC)O)O)=C/C=C/C=C\C/C=C\CCCCCC(=O)O is A dihydroxydocosapentaenoic acid (DiHDPE) that is (7Z,10Z,13E,14E,19Z)-docosapentaenoic acid carrying two hydroxy substituents at the 16 and 17-S positions. It is an intermediate of specialised proresolving mediators. It has the role of specialised pro-resolving mediator . It has the role of human xenobiotic metabolite . It is a conjugate acid of 16,17(S)-dihydroxy-(7Z,10Z,13E,14E,19Z)-docosapentaenoate . It is also related to or classified as protectin , DiHDPE .
The molecule CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)CCCCCCCCCCC)O is a ceramide 1-phosphate that is the N-dodecanoyl (lauroyl) derivative of sphingosine. It has a role as a metabolite. It derives from a sphingosine and a dodecanoic acid. It is a conjugate acid of a N-dodecanoylsphingosine 1-phosphate(2-).
The molecule O=C1C2=C(O)C=3C(=CC(O[C@@H]4O[C@H]([C@@H](O)[C@H]([C@@H]4O)O)CO)=C(C3C)C(=O)C)C=C2C(=O)C=5C1=C(O)C=C(O)C5 O=C1C2=C(O)C=3C(=CC(O[C@@H]4O[C@H]([C@@H](O)[C@H]([C@@H]4O)O)CO)=C(C3C)C(=O)C)C=C2C(=O)C=5C1=C(O)C=C(O)C5 is Wexrubicin. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule COC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)SC)C3=CC=CC=C3OC COC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)SC)C3=CC=CC=C3OC is 3-(2-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-2-(methylthio)-4-imidazolone. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule S(=O)(=O)(O[C@@H]1[C@@H](O)[C@]23NC(N)=N[C@H]2[C@H](COC(=O)N)N=C(N3C1)N)O S(=O)(=O)(O[C@@H]1[C@@H](O)[C@]23NC(N)=N[C@H]2[C@H](COC(=O)N)N=C(N3C1)N)O is 12beta-Deoxydecarbamoyloxygonyautoxin-3. It has the role of marine metabolite . It is also related to or classified as organic heterotricyclic compound .
The molecule O=C1[C@@]23C(=O)N[C@H]([C@@H]2C(C)=C([C@@H]([C@@H]3C=C(CCC(C(C(C1)OC)O)O)C)O)C)CC(C)C O=C1[C@@]23C(=O)N[C@H]([C@@H]2C(C)=C([C@@H]([C@@H]3C=C(CCC(C(C(C1)OC)O)O)C)O)C)CC(C)C is Aspochalasin L. It has the role of fungal metabolite . It is also related to or classified as cytochalasin .
The molecule CCCCCCN=C=O CCCCCCN=C=O is an isocyanate in which a single isocyanato substituent is located at C-1 of a hexane molecule; found to be immunogenic in guinea pigs. It has the role of immunomodulator . It has the role of allergen . It is also related to or classified as isocyanates .
The molecule [C@@]1([C@@H]([C@@H](CO)OC(C)=O)O)([C@H](NC(=O)C)[C@@H](O)C[C@](O1)(C([O-])=O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C(N=C(C=C3)N)=O)[C@@H]([C@@H]2O)O)[H] [C@@]1([C@@H]([C@@H](CO)OC(C)=O)O)([C@H](NC(=O)C)[C@@H](O)C[C@](O1)(C([O-])=O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C(N=C(C=C3)N)=O)[C@@H]([C@@H]2O)O)[H] is CMP-N-beta-acetyl-8-O-acetylneuraminate(2-). Its functional parent is CMP-N-acetyl-beta-neuraminate(2-) . It is also related to or classified as nucleotide-sugar oxoanion .
The molecule OC1Oc2ccccc2N(O)C1=O OC1Oc2ccccc2N(O)C1=O is A lactol that consists of 1,4-benzoxazine bearing two hydroxy substituents at positions 2 and 4 as well as a keto group at position 3. It has the role of herbicide . It has the role of phytotoxin . It has the role of allelochemical . It has the role of plant metabolite .  It is also related to or classified as lactol  . It is also related to or classified as cyclic hydroxamic acid , benzoxazine .
The molecule CC1=CC(=C2C(=C1C3=C(C(=C(C=C3O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)C)O)C(=O)C5=C(C2=O)C(=CC=C5)O)O is an anthraquinone that is knipholone in which the O-methyl group is replaced by a beta-D-glucopyranosyl group. It is isolated from the roots of Bulbine frutescens and exhibits trypanocidal and antiplasmodial activities. It has a role as a metabolite, an antiplasmodial drug and a trypanocidal drug. It is a beta-D-glucoside, a polyphenol, a methyl ketone, an aromatic ketone and a dihydroxyanthraquinone. It derives from a knipholone.
The molecule N1C(SC[C@H]1C(=O)O)=S N1C(SC[C@H]1C(=O)O)=S is A thiazolidinemonocarboxylic acid that is 2-thioxo-1,3-thiazolidine with the carboxy group located at position 4 (the R-enantiomer). It has the role of Arabidopsis thaliana metabolite . It has the role of mouse metabolite . It has the role of xenobiotic metabolite . It is also related to or classified as thiazolidinemonocarboxylic acid .
The molecule C1=CC(=C2C(=C1O)CC(=CCCC(=CC2)CO)C)O C1=CC(=C2C(=C1O)CC(=CCCC(=CC2)CO)C)O is hydroxywigandol. Its functional parent is wigandol . It is also related to or classified as hydroquinones  .
The molecule C(CC(=O)O)C(CC(=O)O)N is an amino dicarboxylic acid that is adipic acid in which one of the hydrogens at position 3 is replaced by an amino group. It is a beta-amino acid, an amino dicarboxylic acid and a gamma-amino acid. It derives from an adipic acid.
The molecule CC1=CC[C@H]([C@]([C@H]1CC[C@H]2C(=C)CC[C@@H]3[C@@]2(CC[C@@H](C3(C)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)NC(=O)C)C)(C)CCC(=O)O)C(=C)C is a triterpene glycoside isolated from the fruit peels of Lansium domesticum and has been shown to exhibit inhibitory activity against leukotriene. It has a role as a leukotriene antagonist and a plant metabolite. It is a triterpenoid saponin, a N-acetyl-D-glucosaminide and a monocarboxylic acid.
The molecule C(=C\[C@H](C/C=C\CC)O)\C=C\C=C\[C@@H](C/C=C\CCCCCC(=O)O)O C(=C\[C@H](C/C=C\CC)O)\C=C\C=C\[C@@H](C/C=C\CCCCCC(=O)O)O is A dihydroxydocosapentaenoic acid (DiHDPE) that is (7Z,11E,13E,15Z,19Z)-docosapentaenoic acid in which the hydrogens at the 10 pro-R and 17 pro-S positions have been replaced by hydroxy groups. It is an intermediate of specialized proresolving mediators. It has the role of specialised pro-resolving mediator . It has the role of human xenobiotic metabolite . It is a conjugate acid of (10R,17S)-dihydroxy-(7Z,11E,13E,15Z,19Z)-docosapentaenoate . It is also related to or classified as protectin , DiHDPE .
The molecule CCC(=O)N1[C@H]([C@H](C12CN(C2)C(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)CO CCC(=O)N1[C@H]([C@H](C12CN(C2)C(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)CO is 1-[(2R,3R)-6-[1,3-benzodioxol-5-yl(oxo)methyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]-1-propanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CCC1(C(C)C1(Cl)Cl)C(=O)NC(C)c1ccc(Cl)cc1 CCC1(C(C)C1(Cl)Cl)C(=O)NC(C)c1ccc(Cl)cc1 is A cyclopropylcarboxamide obtained by formal condensation of the carboxy group of 2,2-dichloro-1-ethyl-3-methylcyclopropanecarboxylic acid with the amino group of 1-(4-chlorophenyl)ethylamine. A rice fungicide with specific action against Pyricularia oryzae. It is not highly toxic to mammals but shows a moderate level of toxicity to birds, fish and earthworms. It has the role of xenobiotic . It has the role of melanin synthesis inhibitor . It has the role of EC 4.2.1.94 (scytalone dehydratase) inhibitor . It has the role of antifungal agrochemical . It is also related to or classified as cyclopropylcarboxamide  . It is also related to or classified as amide fungicide , monochlorobenzenes .
The molecule C([O-])(=O)CCCCCCCCCC(C(OCC(O)CO)=O)CCCCCC C([O-])(=O)CCCCCCCCCC(C(OCC(O)CO)=O)CCCCCC is caprylic/capric triglyceride is a natural coconut and palm kernel oil derived mixture ofglycerin triester with caprylic and capric acids, which can be used as an alternative to mineral and vegetable oils. It is a mixed ester composed of caprylic and capric fatty acids attached to a glycerin backbone. It is also related to or classified as organic molecular entity .
The molecule N[C@H](Cc1ccc([OH+])cc1)C(O)=O N[C@H](Cc1ccc([OH+])cc1)C(O)=O is D-tyrosinyl radical cation. Its functional parent is D-tyrosine . It is a conjugate acid of D-tyrosinyl radical . It is also related to or classified as tyrosinyl radical cation  .
The molecule CCCCC/C=C\\C/C=C\\C=C\\C=C\\C[C@@H]1[C@H](O1)CCC(=O)O is a leukotriene whose structure comprises leukotriene A4 having a (4R,5R)-epoxy group. It is a leukotriene, an epoxy fatty acid and a polyunsaturated fatty acid. It derives from a leukotriene A4.
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C2=C3C(=C(C(=C2O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C(=O)C=C(O3)C5=CC=C(C=C5)O)O)O)O is a flavone C-glycoside that is flavone substituted by hydroxy groups at positions 5, 7 and 4', a beta-D-glucopyranosyl residue at position 6 and a 6-deoxy-alpha-L-mannopyranosyl residue at position 8. It has a role as a plant metabolite and an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is a flavone C-glycoside and a trihydroxyflavone. It derives from a flavone.
The molecule O1C23C4C5(C(C2C(C1=O)(C=CC3)C(O)=O)C(O)=O)CC(O)(CC4)C(C5)=C O1C23C4C5(C(C2C(C1=O)(C=CC3)C(O)=O)C(O)=O)CC(O)(CC4)C(C5)=C is Gibberellin A59. It is also related to or classified as C19-gibberellin , gibberellin monocarboxylic acid .
The molecule S([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)C(=NOS(O)(=O)=O)CCCCCCS(C)=O S([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)C(=NOS(O)(=O)=O)CCCCCCS(C)=O is an omega-[(methylsulfiny)alkyl]glucosinolic acid in which the omega-(methylsulfinyl)alkyl group is specified as 6-(methylsulfinyl)hexyl. It has the role of Arabidopsis thaliana metabolite . It is also related to or classified as omega-[(methylsulfinyl)alkyl]glucosinolic acid .
The molecule C(\CC=CC=CC=C[C@@H]([C@@H](C/C=C\CC)O)SC[C@H](N)C(O)=O)=C\C/C=C\CCC(O)=O C(\CC=CC=CC=C[C@@H]([C@@H](C/C=C\CC)O)SC[C@H](N)C(O)=O)=C\C/C=C\CCC(O)=O is A docosanoid that is 17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoic acid in which a glycinyl group is attached at position 16S via a sulfide linkage. An intermediate of specialised proresolving mediators. It has the role of specialised pro-resolving mediator . It has the role of human xenobiotic metabolite . It is a conjugate acid of 16(S)-cystein-S-yl,17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoate(1-) .  It is also related to or classified as organic sulfide  . It is also related to or classified as secondary alcohol  .  It is also related to or classified as S-substituted L-cysteine  . It is also related to or classified as docosanoid , dicarboxylic acid .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H]([C@@H](CCCCCCCCCCC(C)C)O)O is an N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine in which the acyl group has 25 carbons and 0 double bonds. It derives from a 15-methylhexadecaphytosphingosine.
The molecule C1C([C@@]2([C@@](CC1)(CCC3=C(CC[C@](C3(C)C)(C2)[H])C)C)[H])=C C1C([C@@]2([C@@](CC1)(CCC3=C(CC[C@](C3(C)C)(C2)[H])C)C)[H])=C is A diterpene consisting of taxane having two C=C double bonds at the 4(20)- and 11(12)-positions. It is also related to or classified as diterpene  .
The molecule C1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O)CO)O)O)O)O)O is a glycosylglucose consisting of an alpha-L-arabinopyranose residue and a beta-D-glucopyranose residue joined in sequence by a (1->2) glycosidic bond. It derives from an alpha-L-arabinopyranose and a beta-D-glucose.
The molecule OI(O)([O-])([O-])([O-])=O OI(O)([O-])([O-])([O-])=O is A trivalent inorganic anion obtained by removal of three protons from orthoperiodic acid. It is a conjugate acid of orthoperiodate(4-) . It is also related to or classified as orthoperiodate ion , trivalent inorganic anion .
The molecule O=C(NC1=C(OC)C=C(O)C(=C1)[C@H](/C=C(/C=C\C)\CO)/C=C/[C@H](O)C)C O=C(NC1=C(OC)C=C(O)C(=C1)[C@H](/C=C(/C=C\C)\CO)/C=C/[C@H](O)C)C is Penicilquei D. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule NC(=O)c1ncn(n1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O NC(=O)c1ncn(n1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O is A 1-ribosyltriazole that is the 1-ribofuranosyl derivative of 1,2,4-triazole-3-carboxamide. A synthetic guanosine analogue, it is an inhibitor of HCV polymerase and possesses a broad spectrum of activity against DNA and RNA viruses. It has the role of anticoronaviral agent . It has the role of antiviral agent . It has the role of antimetabolite . It has the role of antiinfective agent . It has the role of EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor . Its functional parent is 1,2,4-triazole-3-carboxamide . It is also related to or classified as primary carboxamide  . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as aromatic amide , 1-ribosyltriazole .
The molecule O1C2=C([C@H](C=3C=4O[C@@H]([C@H](O)[C@H](C4C(O)=CC3O)C=5C=6O[C@@H]([C@@H](O)CC6C(O)=CC5O)C7=CC(O)=C(O)C=C7)C8=CC(O)=C(O)C=C8)[C@@H](O)[C@H]1C9=CC(O)=C(O)C=C9)C(O)=CC(O)=C2[C@H]%10C%11=C(O[C@@H]([C@@H]%10O)C%12=CC(O)=C(O)C=C%12)C=C(O)C=C%11O O1C2=C([C@H](C=3C=4O[C@@H]([C@H](O)[C@H](C4C(O)=CC3O)C=5C=6O[C@@H]([C@@H](O)CC6C(O)=CC5O)C7=CC(O)=C(O)C=C7)C8=CC(O)=C(O)C=C8)[C@@H](O)[C@H]1C9=CC(O)=C(O)C=C9)C(O)=CC(O)=C2[C@H]%10C%11=C(O[C@@H]([C@@H]%10O)C%12=CC(O)=C(O)C=C%12)C=C(O)C=C%11O is a class of condensed tannins in the sub-class procyanidins contained in the seeds of Areca catechu also called betel nut. The arecatannin-type natural products from Ceylonese cassia bark and Areca seed are examples polyphenols by both current definitions, and fit the distinct definition of a polymeric phenol as well. It is also related to or classified as procyanidin  .
The molecule O1C(CCC2=C1C(OC)=C(OC)C=C2)C3=CC(OC)=C(OC)C(OC)=C3 O1C(CCC2=C1C(OC)=C(OC)C=C2)C3=CC(OC)=C(OC)C(OC)=C3 is 3',4',5',7,8-Pentamethoxyflavan. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C1CC(=O)CC1C(=O)O is an alicyclic ketone that is oxocyclopentanone substituted at position 3 by a carboxy group. It is a 4-oxo monocarboxylic acid and an alicyclic ketone. It is a conjugate acid of a 3-oxocyclopentanecarboxylate.
The molecule CCC/C(=C/C([O-])=O)/C CCC/C(=C/C([O-])=O)/C is A monounsaturated fatty acid anion resulting from the deprotonation of the carboxy group of (2E)-3-methylhex-2-enoic acid. It is also related to or classified as short-chain fatty acid anion  . It is also related to or classified as monounsaturated fatty acid anion  .
The molecule S([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)C(=NO)CC=C S([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)C(=NO)CC=C is A desulfoglucosinolic acid resulting from the formal condensation of the thiol group of N-hydroxybut-3-enethioamide with beta-D-glucopyranose. It has the role of Arabidopsis thaliana metabolite . It is also related to or classified as desulfoglucosinolic acid  .
The molecule CC1=CN(CCN2CCN(CC2)C2=CC=CC=C2C2=CC(=CC(=C2)C#N)C(=O)NCCCN2CCCC2)C2=CC=CC=C12 CC1=CN(CCN2CCN(CC2)C2=CC=CC=C2C2=CC(=CC(=C2)C#N)C(=O)NCCCN2CCCC2)C2=CC=CC=C12 is A secondary carboxamide resulting from the formal condensation of the carboxy group of 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}[biphenyl]-3-carboxylic acid with the amino group of 3-(pyrrolidin-1-yl)propan-1-amine. It is a potent and selective inhibitor of SMYD2 and inhibits the ability of SMYD2 to methylate p53. It serves as a valuable chemical probe to aid in the dissection of SMYD2 function in cancer and other biological processes. It has the role of EC 2.1.1.354 ([histone H3]-lysine(4) N-trimethyltransferase) inhibitor . It is also related to or classified as secondary carboxamide  . It is also related to or classified as nitrile  .  It is also related to or classified as methylindole  . It is also related to or classified as benzamides , N-alkylpyrrolidine , N-alkylpiperazine , N-arylpiperazine .
The molecule C([C@@H]1[C@H]([C@@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@@H]2O[C@@H]3[C@H](O[C@@H]([C@H]3O)OC[C@@H]4[C@H]([C@@H]([C@H](O4)OC[C@@H]5[C@H]([C@@H]([C@H](O5)OC[C@@H]6[C@H]([C@@H]([C@H](O6)OC[C@@H]7[C@H]([C@@H]([C@H](O7)OC[C@@H]8[C@H]([C@@H](C(O8)O)O)O)O)O)O)O)O)O)O)O)CO)CO)O)O)O)O is an octasaccharide composed of eight arabinofuranose residues in a beta(1->2), alpha(1->3), alpha(1->5), alpha(1->5), alpha(1->5), alpha(1->5) and alpha(1->5) linear sequence.
The molecule C(\CC=CC=CC=C[C@@H]([C@@H](C/C=C\CC)O)SC[C@H](N)C(=O)NCC(=O)O)=C\C/C=C\CCC(O)=O C(\CC=CC=CC=C[C@@H]([C@@H](C/C=C\CC)O)SC[C@H](N)C(=O)NCC(=O)O)=C\C/C=C\CCC(O)=O is A docosanoid that is 17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoic acid in which a cysteinylglycinyl group is attached at position 16S via a sulfide linkage. An intermediate of specialized proresolving mediators. It has the role of specialised pro-resolving mediator . It has the role of human xenobiotic metabolite . It is a conjugate acid of 16(S)-glycinylcystein-S-yl-17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoate(1-) .  It is also related to or classified as organic sulfide  . It is also related to or classified as secondary alcohol  .  It is also related to or classified as dipeptide  . It is also related to or classified as docosanoid , dicarboxylic acid .
The molecule O=C(O)C1=C(O)C=CC=C1CCCCCCCCCCCC(=O)CCC O=C(O)C1=C(O)C=CC=C1CCCCCCCCCCCC(=O)CCC is 2-hydroxy-6-(12-oxopentadecyl)benzoic acid. Its functional parent is salicylic acid . It is also related to or classified as hydroxybenzoic acid .
The molecule O1C2=C(C(=O)C=C1C3=CC(OC)=C(OC)C=C3)C(O)=CC(OC)=C2OC O1C2=C(C(=O)C=C1C3=CC(OC)=C(OC)C=C3)C(O)=CC(OC)=C2OC is 5-Hydroxy-3',4',7,8-tetramethoxyflavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule O=C(OC)/C(/C#N)=C/N(C)C O=C(OC)/C(/C#N)=C/N(C)C is Methyl 2-cyano-3-(dimethylamino)acrylate. It is also related to or classified as enamine  . It is also related to or classified as enone  .
The molecule C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)[O-])[NH3+])O)O)N is zwitterionic form of S-adenosyl-L-homocysteine arising from migration of a proton from the carboxy group to the alpha-amino group; major species at pH 7.3. It is a tautomer of a S-adenosyl-L-homocysteine.
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC is a 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate in which the phosphatidyl acyl groups at positions 1 and 2 are specified as stearoyl and arachidonoyl respectively. It derives from an arachidonic acid and an octadecanoic acid. It is a conjugate acid of a 1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol 4,5-biphosphate(5-).
The molecule CCC/C(=C/C(N[C@H](C([O-])=O)CCC(N)=O)=O)/C CCC/C(=C/C(N[C@H](C([O-])=O)CCC(N)=O)=O)/C is an N(2)-acyl-L-glutaminate resulting from the deprotonation of the carboxy group of N(2)-[(2E)-3-methylhex-2-enoyl]-L-glutamine. The major species at pH 7.3. It is also related to or classified as N-(fatty acyl)-L-glutamine(1-)  . It is also related to or classified as N(2)-acyl-L-glutaminate  .
The molecule S([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)C(=NO)CCC=2C=CC=CC2 S([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)C(=NO)CCC=2C=CC=CC2 is A desulfoglucosinolic acid resulting from the formal condensation of the thiol group of N-hydroxy-3-phenylpropanethioamide with beta-D-glucopyranose. It has the role of Arabidopsis thaliana metabolite . It is also related to or classified as desulfoglucosinolic acid  .
The molecule NC(Cc1ccc([O])cc1)C(O)=O NC(Cc1ccc([O])cc1)C(O)=O is tyrosinyl radical. Its functional parent is tyrosine . It is also related to or classified as alpha-amino-acid radical .
The molecule C1=CC(=CN=C1)C(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3 C1=CC(=CN=C1)C(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3 is 3-pyridinecarboxylic acid (5-chloro-8-quinolinyl) ester.  It is also related to or classified as organochlorine compound  . It is also related to or classified as quinolines .
The molecule C[C@@H]([C@H]1CC[C@@H]\\2[C@@]1(CCC/C2=C\\C=C/3\\C[C@H](C[C@H](C3=C)O)O)C)[C@H]4CC[C@H](O4)C(C)(C)O is a hydroxycalciol that is a synthetic analogue of vitamin D3 which contains an oxolane ring and exhibits weak vitamin D receptor agonist activity It has a role as a vitamin D receptor agonist. It is a member of oxolanes, a hydroxycalciol and a member of D3 vitamins.
The molecule C[C@@H](O[C@H]([C@@H](N)C=O)[C@H](O)[C@H](O)CO)C(O)=O C[C@@H](O[C@H]([C@@H](N)C=O)[C@H](O)[C@H](O)CO)C(O)=O is aldehydo-muramic acid. Its functional parent is aldehydo-D-glucosamine . It is also related to or classified as muramic acid  .
The molecule C(\CC=CC=CC=C[C@@H]([C@@H](C/C=C\CC)O)SC[C@H](NC(CC[C@H](N)C(=O)O)=O)C(=O)NCC(=O)O)=C\C/C=C\CCC(O)=O C(\CC=CC=CC=C[C@@H]([C@@H](C/C=C\CC)O)SC[C@H](NC(CC[C@H](N)C(=O)O)=O)C(=O)NCC(=O)O)=C\C/C=C\CCC(O)=O is A docosanoid that is 17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoic acid in which a glutathionyl group is attached at position 16S via a sulfide linkage. An intermediate of specialised proresolving mediators. It has the role of specialised pro-resolving mediator . It has the role of human xenobiotic metabolite . It is a conjugate acid of 16(S)-glutathionyl-17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoate(2-) .  It is also related to or classified as organic sulfide  .   It is also related to or classified as secondary alcohol  . It is also related to or classified as docosanoid , glutathione conjugate , tricarboxylic acid .
The molecule O=C(NC1=C(OC)C=C(O)C(=C1)[C@@H](/C=C(/C=C\C)\CO)/C=C/[C@H](O)C)C O=C(NC1=C(OC)C=C(O)C(=C1)[C@@H](/C=C(/C=C\C)\CO)/C=C/[C@H](O)C)C is Penicilquei C. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule CC(=O)N1[C@@H]([C@H]([C@@H]1CO)C2=CC=CC=C2)CN(CCOC)C(=O)C3=CN=CC=C3 CC(=O)N1[C@@H]([C@H]([C@@H]1CO)C2=CC=CC=C2)CN(CCOC)C(=O)C3=CN=CC=C3 is N-[[(2S,3R,4R)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-(2-methoxyethyl)-3-pyridinecarboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule O([C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)O[C@H]2[C@H](O)[C@H](OC(O)[C@@H]2O)CO)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)C)CO O([C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)O[C@H]2[C@H](O)[C@H](OC(O)[C@@H]2O)CO)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)C)CO is an amino trisaccharide consisting of 2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-glucopyranose, and D-glucopyranose residues joined in sequence by (1->4) and (1->3) glycosidic bonds. Its functional parent is laminarabiose . It is also related to or classified as acetamides , amino trisaccharide .
The molecule C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H]([C@@]4(C)CO)O)C)C is a 3beta-sterol that is 5alpha-cholest-8-en-3beta-ol carrying hydroxymethyl and methyl substituents at position 4. It has a role as a human metabolite. It is a cholestanoid and a 3beta-sterol.
The molecule CCCC(CC(N[C@H](C([O-])=O)CCC(N)=O)=O)(C)O CCCC(CC(N[C@H](C([O-])=O)CCC(N)=O)=O)(C)O is an N(2)-acyl-L-glutaminate resulting from the deprotonation of the carboxy group of N(2)-(3-hydroxy-3-methylhexanoyl)-L-glutamine. The major species at pH 7.3. It is also related to or classified as N-(fatty acyl)-L-glutamine(1-)  . It is also related to or classified as N(2)-acyl-L-glutaminate  .
The molecule S([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)C(=NO)CCC=C S([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)C(=NO)CCC=C is A desulfoglucosinolic acid resulting from the formal condensation of the thiol group of N-hydroxypent-4-enethioamide with beta-D-glucopyranose. It has the role of Arabidopsis thaliana metabolite . It is also related to or classified as desulfoglucosinolic acid  .