anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C(CCCSSCCCC(O)=O)(O)=O C(CCCSSCCCC(O)=O)(O)=O is an organic disulfide resulting from the formal oxidative dimerisation of 4-sulfanylbutanoic acid. Its functional parent is 4-sulfanylbutanoic acid . It is a conjugate acid of 4,4'-disulfanyldibutanoate . It is also related to or classified as organic disulfide  . It is also related to or classified as dicarboxylic acid .
The molecule [C@@H]1(N2C(NC(=O)C(=C2)C)=O)O[C@H](COP(OP(O[C@H]3O[C@@H]([C@H](CC3)NC)C)(=O)O)(=O)O)[C@H](C1)O [C@@H]1(N2C(NC(=O)C(=C2)C)=O)O[C@H](COP(OP(O[C@H]3O[C@@H]([C@H](CC3)NC)C)(=O)O)(=O)O)[C@H](C1)O is A pyrimidine nucleotide-sugar having thymine as the nucleobase and 4-(methylamino)-2,3,4,6-tetradeoxy-alpha-D-glucose as the sugar component. It has the role of bacterial metabolite . It is a conjugate acid of dTDP-4-(methylammonio)-2,3,4,6-tetradeoxy-alpha-D-glucose(1-) . It is also related to or classified as pyrimidine nucleotide-sugar .
The molecule CCCOC(=O)c1ccc(O)cc1 CCCOC(=O)c1ccc(O)cc1 is the benzoate ester that is the propyl ester of 4-hydroxybenzoic acid.   Preservative typically found in many water-based cosmetics, such as creams, lotions, shampoos and bath products. Also used as a food additive. It has the role of antimicrobial agent . It has the role of antifungal agent . Its functional parent is propan-1-ol . Its functional parent is 4-hydroxybenzoic acid . It is also related to or classified as paraben  . It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule C(CCC(O)=O)CCC/C=C\CC(/C=C/C=C\CCCCC)OO C(CCC(O)=O)CCC/C=C\CC(/C=C/C=C\CCCCC)OO is A hydroperoxyicosatrienoic acid that is (8Z,12E,14Z)-icosatrienoic acid in which the hydroperoxy substituent is located at position 11. Its functional parent is all-cis-icosa-8,11,14-trienoic acid . It is a conjugate acid of (8Z,12E,14Z)-11-hydroperoxyicosatrienoate . It is also related to or classified as hydroperoxyicosatrienoic acid .
The molecule C[C@@H]1O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](NC(C)=O)[C@@H](O)[C@H]1NC(C)=O C[C@@H]1O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](NC(C)=O)[C@@H](O)[C@H]1NC(C)=O is dianion of UDP-4-amino-UDP-2,4-diacetamido-2,4,6-trideoxy-beta-L-altrose arising from deprotonation of the diphosphate; major species at pH 7.3. It is also related to or classified as nucleotide-sugar oxoanion .
The molecule CC/C=C\\C/C=C\\C/C=C\\CCCCCCCC(=O)OC is a fatty acid methyl ester derived from alpha-linolenic acid. It has a role as a plant metabolite and an insect attractant. It derives from an alpha-linolenic acid.
The molecule [O-]C(=O)CC(S)C([O-])=O [O-]C(=O)CC(S)C([O-])=O is 2-mercaptosuccinate. Its functional parent is succinate(2-) .  It is also related to or classified as C4-dicarboxylate  . It is also related to or classified as thiomalate(2-) .
The molecule BrC1=CC(C[C@@H](C([O-])=O)[NH3+])=CC=C1O BrC1=CC(C[C@@H](C([O-])=O)[NH3+])=CC=C1O is zwitterionic form of 3-bromo-L-tyrosine having an anionic carboxy group and a protonated amino group; major microspecies at pH 7.3. It is also related to or classified as L-alpha-amino acid zwitterion  .
The molecule SCCCC(O)=O SCCCC(O)=O is A monocarboxylic acid that is butyric acid in which one of the hydrogens at position 4 has been replaced by a thiol group. It is a conjugate acid of 4-sulfanylbutanoate .  It is also related to or classified as thiol  . It is also related to or classified as monocarboxylic acid .
The molecule FC1=CN=C(C(=C1)C1=CC2=C(CN(C2)C(=O)CN2C=NC(=N2)C#N)C=C1)C(F)(F)F FC1=CN=C(C(=C1)C1=CC2=C(CN(C2)C(=O)CN2C=NC(=N2)C#N)C=C1)C(F)(F)F is A member of the class of isoindoles that is 2,3-dihydro-1H-isoindole substituted by (3-cyano-1H-1,2,4-triazol-1-yl)acetyl and 5-fluoro-2-(trifluoromethyl)pyridin-3-yl groups at positions 2 and 5, respectively. It inhibits Trypanosoma cruzi topoisomerase II and eradicates Trypanosoma cruzi in a mouse model of Chagas disease. It has the role of topoisomerase II inhibitor . It has the role of trypanocidal drug . It is also related to or classified as ketone  . It is also related to or classified as nitrile  .    It is also related to or classified as organofluorine compound  . It is also related to or classified as isoindoles , pyridines , triazoles .
The molecule C(CCC(O)=O)CCC/C=C\C(/C=C\C/C=C\CCCCC)OO C(CCC(O)=O)CCC/C=C\C(/C=C\C/C=C\CCCCC)OO is A hydroperoxyicosatrienoic acid that is (8Z,11Z,14Z)-icosatrienoic acid in which the hydroperoxy substituent is located at position 10. Its functional parent is all-cis-icosa-8,11,14-trienoic acid . It is a conjugate acid of (8Z,11Z,14Z)-10-hydroperoxyicosatrienoate . It is also related to or classified as hydroperoxyicosatrienoic acid .
The molecule C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC([C@@]2(C(=O)CO)O)C(=O)O)CCC4=CC(=O)C=C[C@]34C)O is a steroid acid, a monocarboxylic acid, an 11beta-hydroxy steroid, a 17alpha-hydroxy steroid, a 20-oxo steroid, a 21-hydroxy steroid, a 3-oxo-Delta(1),Delta(4)-steroid, a primary alpha-hydroxy ketone and a tertiary alpha-hydroxy ketone. It derives from a prednisolone.
The molecule [NH3+][C@@H](C([O-])=O)c1ccc(O)cc1 [NH3+][C@@H](C([O-])=O)c1ccc(O)cc1 is A D-alpha-amino acid zwitterion that is D-4-hydroxyphenylglycine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3. It has the role of bacterial metabolite . It is also related to or classified as D-alpha-amino acid zwitterion  .
The molecule S(C(CCCCCCC[C@@H]1[C@@H](C(C=C1)=O)C/C=C\CC)=O)CCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O S(C(CCCCCCC[C@@H]1[C@@H](C(C=C1)=O)C/C=C\CC)=O)CCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O is A fatty acyl-CoA(4-) that is the tetraanion of (15Z)-12-oxophyto-10,15-dienoyl-CoA, arising from deprotonation of phosphate and diphosphate functions; major species at pH 7.3.  It is also related to or classified as fatty acyl-CoA(4-)  . It is also related to or classified as Jasmonate derivatives .
The molecule C(CCC(O)=O)CCC[C@H](/C=C/C=C\C/C=C\CCCCC)OO C(CCC(O)=O)CCC[C@H](/C=C/C=C\C/C=C\CCCCC)OO is A hydroperoxyicosatrienoic acid that is (9E,11Z,14Z)-icosatrienoic acid in which the hydroperoxy substituent is located at position 8R. Its functional parent is all-cis-icosa-8,11,14-trienoic acid . It is a conjugate acid of (8R,9E,11Z,14Z)-8-hydroperoxyicosatrienoate . It is also related to or classified as hydroperoxyicosatrienoic acid .
The molecule [H][C@]1(N[C@@H](C(O)=O)C(C)(C)S1)[C@H](NC(=O)CSCC=C)C(C)=O [H][C@]1(N[C@@H](C(O)=O)C(C)(C)S1)[C@H](NC(=O)CSCC=C)C(C)=O is an organyl group formed from nucleophilic cleavage of the beta-lactam ring of penicillin O. It has the role of antibacterial agent . Its functional parent is penicillin O . It is also related to or classified as organyl group .
The molecule O1C2=C(C3=C(C=C(O)C=C3)C1=O)C=CC(O)=C2 O1C2=C(C3=C(C=C(O)C=C3)C1=O)C=CC(O)=C2 is Urolithin A. It has the role of geroprotector . It is also related to or classified as coumarins .
The molecule C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OCC(C(=O)O)OP(=O)(O)O)O)O)N is a 3-ADP-glyceric acid having a phosphate group at the 2-position of the glyceric acid moiety. It is a tetronic acid derivative and a 3-ADP-glyceric acid. It derives from a glyceric acid. It is a conjugate acid of a 3-ADP-2-phosphoglycerate(5-).
The molecule CNC(=O)\C=C(/C)OP(=O)(OC)OC CNC(=O)\C=C(/C)OP(=O)(OC)OC is an alkenyl phosphate that is the 4-(methylamino)-4-oxobut-2-en-2-yl ester of dimethyl phosphate. It has the role of acaricide . It has the role of agrochemical . It has the role of avicide . It has the role of EC 3.1.1.8 (cholinesterase) inhibitor . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . It has the role of EC 1.4.3.4 (monoamine oxidase) inhibitor .   It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as dialkyl phosphate , organophosphate insecticide , alkenyl phosphate .
The molecule C12=C(N=CN=C1N)N(C=N2)[C@@H]3O[C@@H]([C@@H](C3O)OP(=O)([O-])[O-])COP(=O)(OP(=O)(OCC([C@](C(NCCC(NCCSC(CCCCCCC[C@@H]4[C@@H](C(CC4)=O)C/C=C\CC)=O)=O)=O)(O)[H])(C)C)[O-])[O-] C12=C(N=CN=C1N)N(C=N2)[C@@H]3O[C@@H]([C@@H](C3O)OP(=O)([O-])[O-])COP(=O)(OP(=O)(OCC([C@](C(NCCC(NCCSC(CCCCCCC[C@@H]4[C@@H](C(CC4)=O)C/C=C\CC)=O)=O)=O)(O)[H])(C)C)[O-])[O-] is an acyl-CoA(4-) that is the tetraanion of 8-[(1R,2R)-3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl]octanoate-coA, arising from deprotonation of phosphate and diphosphate functions.  It is also related to or classified as acyl-CoA(4-)  . It is also related to or classified as Jasmonate derivatives .
The molecule [H]SSSS[H] [H]SSSS[H] is tetrasulfane. It is a conjugate acid of tetrasulfanide . It is also related to or classified as sulfur hydride .
The molecule O[13C](=O)[13CH2][13CH2]CCCCCCCCCCC O[13C](=O)[13CH2][13CH2]CCCCCCCCCCC is myristic acid-13C3.  It is also related to or classified as long-chain fatty acid  . It is also related to or classified as (13)C-modified compound .
The molecule CCCCC\C=C/C\C=C/C\C=C/CCCCCCC([O-])=O CCCCC\C=C/C\C=C/C\C=C/CCCCCCC([O-])=O is an unsaturated fatty acid anion that is the conjugate base of all-cis-icosa-8,11,14-trienoic acid arising from deprotonation of the carboxy group.  It is also related to or classified as icosatrienoate  . It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as straight-chain fatty acid anion , polyunsaturated fatty acid anion .
The molecule C[C@@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](NC(C)=O)[C@@H](O)[C@H]1N C[C@@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](NC(C)=O)[C@@H](O)[C@H]1N is A UDP-amino sugar having 4-amino-4,6-dideoxy-L-N-acetyl-beta-L-altrosamine as the amino sugar component. Its functional parent is beta-L-altrose . It is a conjugate acid of UDP-4-amino-4,6-dideoxy-L-N-acetyl-beta-L-altrosamine(1-) . It is also related to or classified as UDP-amino sugar .
The molecule CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C is a tripeptide composed of N-acetylleucyl, leucyl and norleucinal residues joined in sequence. It has a role as a cysteine protease inhibitor. It is a tripeptide and an aldehyde.
The molecule O[C@H]([C@H](O)[C@H](O)CO)[C@@H](O)[C@H](O)C(=O)COP(O)(=O)O O[C@H]([C@H](O)[C@H](O)CO)[C@@H](O)[C@H](O)C(=O)COP(O)(=O)O is octulose 1-phosphate. It is also related to or classified as ketose phosphate , ketooctose derivative .
The molecule [H]N([H])[H] [H]N([H])[H] is an azane that consists of a single nitrogen atom covelently bonded to three hydrogen atoms. It has the role of NMR chemical shift reference compound . It has the role of metabolite . It has the role of neurotoxin . It has the role of nucleophilic reagent . It has the role of mouse metabolite . It has the role of EC 3.5.1.4 (amidase) inhibitor . It has the role of refrigerant . It is a conjugate acid of azanide . It is also related to or classified as gas molecular entity , azane , mononuclear parent hydride .
The molecule C[C@@H]1O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](NC(C)=O)[C@@H](O)[C@H]1[NH3+] C[C@@H]1O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](NC(C)=O)[C@@H](O)[C@H]1[NH3+] is monoanion of UDP-4-amino-4,6-dideoxy-L-N-acetyl-beta-L-altrosamine arising from deprotonation of the diphosphate and protonation of the amino function; major species at pH 7.3. It is also related to or classified as UDP-amino sugar .
The molecule COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O is a monomethoxyflavone that is apigenin in which the hydroxy group at position 7 is methylated. It has a role as a metabolite. It is a dihydroxyflavone and a monomethoxyflavone. It derives from an apigenin.
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC(O)=C(C(O)=C2)C(=O)CCC3=CC=C(O)C=C3)COC(=O)C4=CC(O)=C(O)C(O)=C4 O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC(O)=C(C(O)=C2)C(=O)CCC3=CC=C(O)C=C3)COC(=O)C4=CC(O)=C(O)C(O)=C4 is [(2r,3s,4s,5r,6s)-6-[3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C(=CCCO)(C)C C(=CCCO)(C)C is A homoallylic alcohol that is 2-methylpent-2-ene in which a hydrogen of the methyl group at position 5 has been replaced by a hydroxy group. It has the role of plant metabolite . It is also related to or classified as homoallylic alcohol  . It is also related to or classified as primary alcohol  .
The molecule O.O.O.O.O.O.[Mn+2].S([O-])([O-])(=O)=O O.O.O.O.O.O.[Mn+2].S([O-])([O-])(=O)=O is A hydrate that is the hexahydrate form of manganese(II) sulfate. It has the role of nutraceutical . It is also related to or classified as manganese molecular entity , hydrate , metal sulfate .
The molecule C1=C(C(C(=CC1=O)OC)=O)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C C1=C(C(C(=CC1=O)OC)=O)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C is A 2-methoxy-6-all-trans-polyprenylbenzoquinone in which the polyprenyl component is specified as all-trans-heptaprenyl. It is also related to or classified as 2-methoxy-6-all-trans-polyprenyl-1,4-benzoquinone .
The molecule OC=1C(=C(C(=C(C1[2H])[2H])[2H])[2H])C(O)=O OC=1C(=C(C(=C(C1[2H])[2H])[2H])[2H])C(O)=O is salicylic acid-d4. Its functional parent is salicylic acid . It is also related to or classified as hydroxybenzoic acid .
The molecule C(CCCCCCC/C=C\CCCCCC)(=O)NCC(O)=O C(CCCCCCC/C=C\CCCCCC)(=O)NCC(O)=O is A fatty acid amide resulting from the formal condensation of the carboxy group of (9Z)-hexadecenoic acid with the amino group of glycine. It has the role of human metabolite . Its functional parent is palmitoleic acid . It is a conjugate acid of N-[(9Z)-hexadecenoyl]glycinate . It is also related to or classified as N-acylglycine 16:1  . It is also related to or classified as fatty amide .
The molecule [H][C@@]12C[C@@]3([H])C(C(=O)c4c(O)cccc4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCN1CCCC1)=C(O)[C@H]2N(C)C [H][C@@]12C[C@@]3([H])C(C(=O)c4c(O)cccc4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCN1CCCC1)=C(O)[C@H]2N(C)C is A derivative of tetracycline in which the amide function is substituted with a pyrrolidinomethyl group. It has the role of antiprotozoal drug . It has the role of antibacterial drug . It has the role of protein synthesis inhibitor . It has the role of prodrug . It is also related to or classified as tertiary alpha-hydroxy ketone  . It is also related to or classified as tetracyclines .
The molecule C/C/1=C\\[C@H]([C@H]2[C@H](CC(=C)[C@H](CC1)O)OC(=O)C2=C)O is a germacrane sesquiterpenoid found in Tanacetum vulgare, Anthemis altissima and Anthemis melanolepsis that is tatridin A in which the double bond at position 9-10 has migrated to position 10-14. It has a role as a metabolite. It is a gamma-lactone, a diol, a germacrane sesquiterpenoid and an organic heterobicyclic compound.
The molecule O[C@@H]1C[C@@](CCC1)(C2=C(O)C=C(C(CCCCCCO)(C)C)C=C2)[H] O[C@@H]1C[C@@](CCC1)(C2=C(O)C=C(C(CCCCCCO)(C)C)C=C2)[H] is Benzeneheptanol, 3-hydroxy-4-[(1r,3s)-3-hydroxycyclohexyl]-.eta.,.eta.-dimethyl-, rel-.  It is also related to or classified as alkylbenzene  . It is also related to or classified as ring assembly .
The molecule [C@@H]1(N2C(NC(=O)C(=C2)C)=O)O[C@H](COP(OP(O[C@H]3O[C@@H]([C@H](CC3)[NH2+]C)C)(=O)[O-])(=O)[O-])[C@H](C1)O [C@@H]1(N2C(NC(=O)C(=C2)C)=O)O[C@H](COP(OP(O[C@H]3O[C@@H]([C@H](CC3)[NH2+]C)C)(=O)[O-])(=O)[O-])[C@H](C1)O is A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups and protonation of the amino group of dTDP-4-(methylamino)-2,3,4,6-tetradeoxy-alpha-D-glucose; major species at pH 7.3. It has the role of bacterial metabolite . It is also related to or classified as nucleotide-sugar oxoanion .
The molecule C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O is A alpha-L-Fucp-(1->2)-beta-D-Galp-(1->3)-D-Galp that has beta-configuration at the anomeric hydroxy group. It is also related to or classified as alpha-L-Fucp-(1->2)-beta-D-Galp-(1->3)-D-Galp  .
The molecule C1=CC2=C3C(C=CC4=CC=CC(C=C2)=C34)=C1 C1=CC2=C3C(C=CC4=CC=CC(C=C2)=C34)=C1 is an ortho- and peri-fused polycyclic arene consisting of four fused benzene rings, resulting in a flat aromatic system. It has the role of fluorescent probe . It has the role of persistent organic pollutant . It is also related to or classified as ortho- and peri-fused polycyclic arene .
The molecule N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(O)=O N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(O)=O is A dipeptide comprising L-arginine with a L-glutamic acid residue attached to the N(1) nitrogen. It is also related to or classified as dipeptide  .
The molecule C=1(C(=C(C2=C(C1C)COC2=O)O)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)OC C=1(C(=C(C2=C(C1C)COC2=O)O)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)OC is 4-farnesyl-3,5-dihydroxy-6-methoxylphthalide. Its functional parent is 4-farnesyl-3,5-dihydroxy-6-methylphthalide . It is also related to or classified as 2-benzofurans .
The molecule C(CCCCCCCC(=O)NCC(O)=O)CCCCCCCCC C(CCCCCCCC(=O)NCC(O)=O)CCCCCCCCC is A fatty acid amide resulting from the formal condensation of the carboxy group of octadecanoic acid with the amino group of glycine. It has the role of human metabolite . Its functional parent is octadecanoic acid . It is a conjugate acid of N-octadecanoylglycinate . It is also related to or classified as N-acylglycine 18:0  . It is also related to or classified as fatty amide .
The molecule O1C(C(O)C(O)C(O)C1OC2=CC=C(C=C2)/C=C/C=3C(O)=C(O)C(=C(O)C3)\C=C\C(C)C)C(O)=O O1C(C(O)C(O)C(O)C1OC2=CC=C(C=C2)/C=C/C=3C(O)=C(O)C(=C(O)C3)\C=C\C(C)C)C(O)=O is 3,4,5-trihydroxy-6-{4-[(E)-2-{2,3,5-trihydroxy-4-[(1E)-3-methylbut-1-en-1-yl]phenyl}ethenyl]phenoxy}oxane-2-carboxylic acid. It is also related to or classified as glycoside  . It is also related to or classified as stilbenoid .
The molecule COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O is a monomethoxyflavone that is the 4'-methyl ether derivative of luteolin. It has a role as an antioxidant, an antineoplastic agent, a plant metabolite and a tropomyosin-related kinase B receptor agonist. It is a monomethoxyflavone, a trihydroxyflavone and a 3'-hydroxyflavonoid. It derives from a luteolin.
The molecule S1C(N[C@@H](C1)C(O)=O)CCCCCCCCCCC S1C(N[C@@H](C1)C(O)=O)CCCCCCCCCCC is 4-thiazolidinecarboxylic acid, 2-undecyl-, (4r)-. It is also related to or classified as L-alpha-amino acid  .
The molecule C[C@@H]1CC(O[C@H](CC1)C(C)C)=O C[C@@H]1CC(O[C@H](CC1)C(C)C)=O is A 7-isopropyl-4-methyloxepan-2-one that has 4S,7R configuration. Its functional parent is (+)-menthone . It is also related to or classified as 7-isopropyl-4-methyloxepan-2-one  .
The molecule [O-]C([O-])=O.[K+].[K+] [O-]C([O-])=O.[K+].[K+] is A potassium salt that is the dipotassium salt of carbonic acid. It has the role of fertilizer . It has the role of catalyst . It has the role of flame retardant . It is also related to or classified as potassium salt , carbonate salt .
The molecule O1[C@@H]([C@H]([C@@H]([C@@H]([C@H]1OC)O[C@H]2O[C@@H]([C@H]([C@@H]([C@@H]2OC)O)NC([C@H](CCO)O)=O)C)O)NC([C@H](CCO)O)=O)C O1[C@@H]([C@H]([C@@H]([C@@H]([C@H]1OC)O[C@H]2O[C@@H]([C@H]([C@@H]([C@@H]2OC)O)NC([C@H](CCO)O)=O)C)O)NC([C@H](CCO)O)=O)C is an amido disaccharide fragment which mimicks the terminus of the O-polysaccharide of Vibrio cholerae O:1, serotype Ogawa (PDB entry: 1F4Y). It has the role of epitope . Its functional parent is alpha-D-mannose . It is also related to or classified as amino disaccharide , methyl glycoside .
The molecule O[13C](=O)[13CH2][13CH2][13CH2]CCCCCCCCCCCC O[13C](=O)[13CH2][13CH2][13CH2]CCCCCCCCCCCC is hexadecanoic acid-13C4.  It is also related to or classified as long-chain fatty acid  . It is also related to or classified as (13)C-modified compound .
The molecule C(\CCCCCCCC(=O)N[C@H](C(O)=O)CC(C)C)=C\CCCCCCCC C(\CCCCCCCC(=O)N[C@H](C(O)=O)CC(C)C)=C\CCCCCCCC is an L-leucine derivative resulting from the formal condensation of the carboxy group of oleic acid with the amino group of L-leucine. Its functional parent is oleic acid . It is a conjugate acid of N-oleoyl-L-leucinate . It is also related to or classified as N-(fatty acyl)-L-alpha-amino acid  . It is also related to or classified as L-leucine derivative .
The molecule CC(O)=O.N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(O)=O CC(O)=O.N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(O)=O is the acetate salt of L-arginyl-L-glutamic acid. It is also related to or classified as organic molecular entity , acetate salt .
The molecule COC(=O)C=C(C)OP(=O)(OC)OC COC(=O)C=C(C)OP(=O)(OC)OC is mevinphos. It has the role of acaricide . It has the role of agrochemical . It has the role of avicide . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . Its functional parent is methyl 3-hydroxybut-2-enoate . It is also related to or classified as dialkyl phosphate , organophosphate insecticide .
The molecule CCC(=O)CO is a primary alpha-hydroxy ketone that is butane-1,2-diol in which the hydroxy group at position 2 has been formally oxidised to give the corresponding ketone. It derives from a butan-2-one and a butane-1,2-diol.
The molecule NC(C(O)=O)c1ccc(O)cc1 NC(C(O)=O)c1ccc(O)cc1 is A glycine molecule carrying a 4-hydroxyphenyl substituent. It has the role of bacterial metabolite . Its functional parent is glycine . It is also related to or classified as hydroxy-amino acid .
The molecule C(\CCC=C(C)C)(=C/OC=O)/C C(\CCC=C(C)C)(=C/OC=O)/C is A formate ester resulting from the formal condensation of the E-enol tautomer of 2,6-dimethylhept-5-enal with formic acid. It is also related to or classified as formate ester , olefinic compound .
The molecule [Mn++].[O-]S([O-])(=O)=O [Mn++].[O-]S([O-])(=O)=O is A metal sulfate in which the metal component is manganese in the +2 oxidation state. It has the role of nutraceutical . It is also related to or classified as manganese molecular entity , metal sulfate .
The molecule [C@H]([C@H](C[C@H](/C=C/CCCCCC[C@@H](CCCCCC)O)OC(=O)C)O)(C(=O)[O-])[NH3+] [C@H]([C@H](C[C@H](/C=C/CCCCCC[C@@H](CCCCCC)O)OC(=O)C)O)(C(=O)[O-])[NH3+] is major microspecies at pH 7.3. It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as alpha-amino-acid zwitterion  .
The molecule C12=CC=CC=C1OC(CC2=O)C=3C=CC(=CC3)OC C12=CC=CC=C1OC(CC2=O)C=3C=CC(=CC3)OC is the parent member of the class of 4'-methoxyflavanones that is flavanone which is substituted by a methoxy group at the 4'-position. It is also related to or classified as 4'-methoxyflavanones  .
The molecule CCC1(C(=O)NC(=O)NC1=O)CC is a member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by two ethyl groups. Formerly used as a hypnotic (sleeping aid). It has a role as a drug allergen.