anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C1CC(C1)CNC[C@H]2[C@H]([C@H](N2C(=O)CC3=CN=CC=C3)CO)C4=CC=CC=C4 C1CC(C1)CNC[C@H]2[C@H]([C@H](N2C(=O)CC3=CN=CC=C3)CO)C4=CC=CC=C4 is 1-[(2R,3R,4S)-2-[(cyclobutylmethylamino)methyl]-4-(hydroxymethyl)-3-phenyl-1-azetidinyl]-2-(3-pyridinyl)ethanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@H](CN2C)C(=O)N[C@]1(C)O[C@]2(O)N([C@@H](Cc3ccccc3)C(=O)N3CCC[C@@]23[H])C1=O [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@H](CN2C)C(=O)N[C@]1(C)O[C@]2(O)N([C@@H](Cc3ccccc3)C(=O)N3CCC[C@@]23[H])C1=O is ergotamine in which a single bond replaces the double bond between positions 9 and 10. A semisynthetic ergot alkaloid with weaker oxytocic and vasoconstrictor properties than ergotamine, it is used (as the methanesulfonic or tartaric acid salts) for the treatment of migraine and orthostatic hypotension. It has the role of non-narcotic analgesic . It has the role of serotonergic agonist . It has the role of vasoconstrictor agent . It has the role of dopamine agonist . It has the role of sympatholytic agent . It is also related to or classified as ergot alkaloid , semisynthetic derivative .
The molecule C[Ge](C)(C)C C[Ge](C)(C)C is an organogermanium compound that is germanium which carries four methyl groups. It has the role of NMR chemical shift reference compound . It is also related to or classified as organogermanium compound .
The molecule [As-](F)(F)(F)(F)(F)F.[Na+] [As-](F)(F)(F)(F)(F)F.[Na+] is Sodium hexafluoroarsenate. It has the role of NMR chemical shift reference compound . It is also related to or classified as inorganic sodium salt , inorganic molecular entity .
The molecule NC(Cc1c[nH]c2ccc(O)cc12)C(O)=O NC(Cc1c[nH]c2ccc(O)cc12)C(O)=O is A tryptophan derivative that is tryptophan substituted by a hydroxy group at position 5. It has the role of neurotransmitter . It has the role of human metabolite . It is also related to or classified as hydroxytryptophan .
The molecule CC(=O)NC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)[NH3+])O)[NH3+])[NH3+])[NH3+])O)O is a quadruply-charged ammonium ion arising from protonation of the four free amino groups of N(6')-acetylkanamycin; major species at pH 7.3. It is an organic cation and an ammonium ion derivative. It is a conjugate acid of a N(6')-acetylkanamycin B.
The molecule CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2 is an aromatic ether having phenyl and 2-methylsulfonamido-5-nitrophenyl as the two aryl groups. It has a role as a cyclooxygenase 2 inhibitor and a non-steroidal anti-inflammatory drug. It is a C-nitro compound, a sulfonamide and an aromatic ether. It derives from a nitrobenzene.
The molecule [C@@]12(C)[C@]3([C@]([C@@]4(CC[C@@H](C(C4=CC3)(C)C)O)[H])([C@@H](C[C@]2(C)[C@](CC1)([C@@H](CC[C@H](C(C)(C)O)O)C)[H])O)C)[H] [C@@]12(C)[C@]3([C@]([C@@]4(CC[C@@H](C(C4=CC3)(C)C)O)[H])([C@@H](C[C@]2(C)[C@](CC1)([C@@H](CC[C@H](C(C)(C)O)O)C)[H])O)C)[H] is A tetracyclic triterpenoid that is cucurbitadienol in which the side-chain double bond (position 24-25) has undergone formal oxidation to introduce hydroxy groups at positions 24 and 25 (the 24R stereoisomer). It is a biometabolite of mogrosides found in Siraitia grosvenorii. It has the role of antineoplastic agent . Its functional parent is cucurbitadienol . It is also related to or classified as tetracyclic triterpenoid , hydroxy seco-steroid .
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=C(C=C3)C(F)(F)F C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=C(C=C3)C(F)(F)F is 1-[[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C=12C(=O)NC(N)=NC1N[C@]3([C@@](N2)(C4=C([C@@H](COP(=O)(OP(=O)(OC[C@@H]5[C@H]([C@H]([C@H](N6C=7N=CN=C(C7N=C6)N)O5)O)O)[O-])[O-])O3)S[Mo-2](S4)(=O)(=O)=O)[H])[H] C=12C(=O)NC(N)=NC1N[C@]3([C@@](N2)(C4=C([C@@H](COP(=O)(OP(=O)(OC[C@@H]5[C@H]([C@H]([C@H](N6C=7N=CN=C(C7N=C6)N)O5)O)O)[O-])[O-])O3)S[Mo-2](S4)(=O)(=O)=O)[H])[H] is major species at pH 7.3. It is also related to or classified as Mo-molybdopterin cofactor , organophosphate oxoanion .
The molecule O=[N+]([O-])/C(=C(/C=C/C=C\C=C(/C(O)C(C(=O)NC/C=C/C=C/C(O)C(CC(OC)C1(O)C2(N(C)C(C1C)=O)C(=O)OC2C)C)(C)C)\C)\C)/C O=[N+]([O-])/C(=C(/C=C/C=C\C=C(/C(O)C(C(=O)NC/C=C/C=C/C(O)C(CC(OC)C1(O)C2(N(C)C(C1C)=O)C(=O)OC2C)C)(C)C)\C)\C)/C is Lajollamycin. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O1C(OC=2C(=CC(=C(O)C2)C(=O)C(O)C(O)C3=CC(CC=C(C)C)=C(O)C=C3)CC=C(C)C)C(O)C(O)C(O)C1C(O)=O O1C(OC=2C(=CC(=C(O)C2)C(=O)C(O)C(O)C3=CC(CC=C(C)C)=C(O)C=C3)CC=C(C)C)C(O)C(O)C(O)C1C(O)=O is 6-(4-{2,3-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoyl}-5-hydroxy-2-(3-methylbut-2-en-1-yl)phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C[C@@H]1[C@H](C[C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@@H]2O)CO)OC)NC(=O)C)O)O is an amino disaccharide consisting of N-acetyl-beta-D-galactosamine having a beta-D-tyvelosyl residue attached at the 3-position and with the anomeric hydroxy group replaced by methoxy. It has a role as an epitope. It is a methyl glycoside and an amino disaccharide.
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)NC1=CC=CC=C1 is the fatty amide resulting from the formal condensation of oleic acid and aniline. It is an anilide and a fatty amide. It derives from an oleic acid.
The molecule [C@@]12(C)[C@]3([C@]([C@@]4(CC[C@@H](C(C4=CC3)(C)C)O)[H])(C(C[C@]2(C)[C@](CC1)([C@@H](CCC=C(C)C)C)[H])=O)C)[H] [C@@]12(C)[C@]3([C@]([C@@]4(CC[C@@H](C(C4=CC3)(C)C)O)[H])(C(C[C@]2(C)[C@](CC1)([C@@H](CCC=C(C)C)C)[H])=O)C)[H] is A tetracyclic triterpenoid that is cucurbitadienol in which the methylene hydrogens at position 11 have been replaced by an oxo group. It has the role of plant metabolite . Its functional parent is cucurbitadienol .  It is also related to or classified as secondary alcohol  . It is also related to or classified as tetracyclic triterpenoid , cyclic terpene ketone .
The molecule O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](CCCN=C(N)N)C(N[C@H]([C@@H](C(N[C@H](CCC(NC1=CC)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC(=O)C)CC2=CC=CC=C2)C)/C)=O)CCCN=C(N)N)C O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](CCCN=C(N)N)C(N[C@H]([C@@H](C(N[C@H](CCC(NC1=CC)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](OC(=O)C)CC2=CC=CC=C2)C)/C)=O)CCCN=C(N)N)C is [Asp3, ADMAdda5, Dhb7] microcystin RR. It is also related to or classified as peptide  .
The molecule C1CCC(CC1)NC(=O)N2CC3(C2)[C@H]([C@H](N3S(=O)(=O)CC4=CC=CC=C4)CO)C5=CC=CC=C5 C1CCC(CC1)NC(=O)N2CC3(C2)[C@H]([C@H](N3S(=O)(=O)CC4=CC=CC=C4)CO)C5=CC=CC=C5 is (2S,3S)-N-cyclohexyl-2-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-1,6-diazaspiro[3.3]heptane-6-carboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule [C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@@H]2O)CO)O[C@@H]3[C@H]([C@H](O[C@@H]([C@@H]3O)CO)O[C@@H]4[C@@H]([C@H]([C@@H](O[C@@H]4CO)O[C@H]5[C@@H]([C@H](C(O[C@@H]5CO)O)O)O)O)O)O)NC(=O)C [C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@@H]2O)CO)O[C@@H]3[C@H]([C@H](O[C@@H]([C@@H]3O)CO)O[C@@H]4[C@@H]([C@H]([C@@H](O[C@@H]4CO)O[C@H]5[C@@H]([C@H](C(O[C@@H]5CO)O)O)O)O)O)O)NC(=O)C is A linear amino pentasaccharide comprising D-glucose at the reducing end with a beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl moiety at the 4-position. It has the role of epitope . It is also related to or classified as galactosamine oligosaccharide , amino pentasaccharide .
The molecule CCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCC is a 1,2-diacyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1,2-dioctanoyl-sn-glycero-3-phosphate; major species at pH 7.3. It derives from an octanoate. It is a conjugate base of a 1,2-dioctanoyl-sn-glycero-3-phosphate.
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O)O is a 3-hydroxy fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (3R,9Z,12Z,15Z,18Z)-3-hydroxytetracosatetraenoyl-CoA; major species at pH 7.3. It is a (R)-3-hydroxyacyl-CoA(4-) and a 3-hydroxy fatty acyl-CoA(4-). It is a conjugate base of a (3R,9Z,12Z,15Z,18Z)-3-hydroxytetracosatetraenoyl-CoA.
The molecule O=C1C2=C(O)C=3C(=C(O)C=CC3O)C(=C2C(=O)C=4C1=C(C(=CC4)CC)C(=O)OC)O O=C1C2=C(O)C=3C(=C(O)C=CC3O)C(=C2C(=O)C=4C1=C(C(=CC4)CC)C(=O)OC)O is n-Isorhodomycinone. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule [C@@]12(C)[C@]3([C@]([C@@]4(CC[C@@H](C(C4=CC3)(C)C)O)[H])([C@@H](C[C@]2(C)[C@](CC1)([C@@H](CCC=C(C)C)C)[H])O)C)[H] [C@@]12(C)[C@]3([C@]([C@@]4(CC[C@@H](C(C4=CC3)(C)C)O)[H])([C@@H](C[C@]2(C)[C@](CC1)([C@@H](CCC=C(C)C)C)[H])O)C)[H] is A tetracyclic triterpenoid that is 4,9-cyclo-9,10-secocholesta-5,24-diene substituted by methyl groups at positions 9beta, 10, and 14, and by hydroxy groups at positions 1 and 11alpha. It has the role of plant metabolite . Its functional parent is cucurbitadienol . It is also related to or classified as diol  .  It is also related to or classified as secondary alcohol  . It is also related to or classified as tetracyclic triterpenoid .
The molecule OC1C[N@@]2CC[C@H]1CC2 OC1C[N@@]2CC[C@H]1CC2 is quinuclidine in which a hydrogen atom at position 3 is substituted by a hydroxy group.  It is also related to or classified as tertiary amine  . It is also related to or classified as secondary alcohol  . It is also related to or classified as quinuclidines .
The molecule O(C=1C(C2C(C(CC(=C2)C)C3=C(O)C=C(O)C=C3)C(O)=O)=C(O)C=C(C1)/C=C/C4=C(O)C=C(O)C=C4)C5OC(C(O)C(O)C5O)C(O)=O O(C=1C(C2C(C(CC(=C2)C)C3=C(O)C=C(O)C=C3)C(O)=O)=C(O)C=C(C1)/C=C/C4=C(O)C=C(O)C=C4)C5OC(C(O)C(O)C5O)C(O)=O is 6-{2-[6-carboxy-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-3-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid. It is also related to or classified as glycoside  . It is also related to or classified as stilbenoid .
The molecule OC[C@@H](O)CS OC[C@@H](O)CS is A monothioglycerol that has R configuration. It is also related to or classified as monothioglycerol  .
The molecule CCCCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C is an O-acylcarnitine in which the acyl group is specified as (4E,7E,10E,13E,16E)-docosapentaenoyl. It has a role as a rat metabolite and a mouse metabolite.
The molecule C1=CC(=CC2=[N+](C3=C(C=CC(=C3)N)C=C21)CCCC(=O)O)N.[O-]Cl(=O)(=O)=O is a member of aminoacridines and an organic perchlorate salt. It has a role as a fluorochrome. It contains an ATTO 465-2(1+).
The molecule CCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O is a hydroxypiperidine that is deoxynojirimycin in which the amino hydrogen is replaced by a butyl group. It has a role as an EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor and an anti-HIV agent. It is a member of piperidines and a tertiary amino compound. It derives from a duvoglustat.
The molecule [H]C(=O)NCc1ccccc1 [H]C(=O)NCc1ccccc1 is N-benzylformamide. Its functional parent is formamide . It is also related to or classified as formamides .
The molecule OC(=O)C(N1C=CC=C1)C2=CC=CC=C2 OC(=O)C(N1C=CC=C1)C2=CC=CC=C2 is 2-Phenyl-2-(1H-pyrrol-1-yl)acetic acid. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H](C4=O)O)C)OS(=O)(=O)[O-] is a steroid sulfate oxoanion that is the conjugate base of 16alpha-hydroxydehydroepiandrosterone 3-sulfate, arising from deprotonation of the sulfate OH group; major species at pH 7.3. It is a conjugate base of a 16alpha-hydroxydehydroepiandrosterone 3-sulfate.
The molecule [208Po] [208Po] is the radioactive isotope of polonium with relative atomic mass 207.98123 and half-life of 2.898 years. It is also related to or classified as polonium atom  .
The molecule C(/C=C\CCCCC)[C@H](C/C=C/C=C/[C@H]([C@@H](O)CCCC(=O)[O-])SC[C@H]([NH3+])C(=O)[O-])O C(/C=C\CCCCC)[C@H](C/C=C/C=C/[C@H]([C@@H](O)CCCC(=O)[O-])SC[C@H]([NH3+])C(=O)[O-])O is an icosanoid anion that is the conjugate base of (12R)-hydroxy-10,11-dihydroleukotriene E4, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as dicarboxylic acid monoanion , icosanoid anion .
The molecule C1C[C@H]2C(=O)N[C@H](C(=O)N2C1)CC3=CNC4=CC=CC=C43 is a pyrrolopyrazine that is hexahydropyrrolo[1,2-a]pyrazine-1,4-dione bearing an indol-3-ylmethyl substituent at position 3 (the 3S,8aS-diastereomer, obtained by formal cyclocondensation of L-tryptophan and L-proline). It has a role as a metabolite. It is a pyrrolopyrazine, a member of indoles and a dipeptide.
The molecule S1C(=CC=C1)C(OC2=CC=CC=C2)=O S1C(=CC=C1)C(OC2=CC=CC=C2)=O is Phenyl thiophene-2-carboxylate. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule CC(C)CC/C=C(\\C)/[C@@H]1[C@H](CCC(=O)[C@H]1OC)C(C(F)(F)F)(C(F)(F)F)O is an alicyclic ketone that is cyclohexanone in which the pro-S hydrogens at positions 2, 3, and 4 are substituted by methoxy, (2E)-6-methylhept-2-en-2-yl, and perfluoro-2-hydroxypropan-2-yl groups, respectively. It has a role as an angiogenesis inhibitor. It is an organofluorine compound and an alicyclic ketone. It derives from a fumagalone.
The molecule C1[C@@H](C=CC=C1C(=O)O)N is the (S)-enantiomer of gabaculine. It has a role as a bacterial metabolite and an EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor. It is an enantiomer of a (R)-gabaculine.
The molecule C[C@@H]1CC[C@H](C=C1)C(C)C C[C@@H]1CC[C@H](C=C1)C(C)C is A chiral monoterpene consisting of cyclohexene having isopropyl and methyl substitents at the 3- and 6-positions respectively. It is also related to or classified as cycloalkene  . It is also related to or classified as monoterpene  .
The molecule Br.Br.O=NC=C1C=CN(C=C1)CCC[N+]2=CC=C(C=C2)C(=O)[NH-] Br.Br.O=NC=C1C=CN(C=C1)CCC[N+]2=CC=C(C=C2)C(=O)[NH-] is K027. It has the role of cholinesterase reactivator . It is also related to or classified as oxime  .
The molecule O1C([C@H](OC(=O)C)C(O)[C@H](O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3CC=C(C)C)C4=CC=C(O)C=C4)C O1C([C@H](OC(=O)C)C(O)[C@H](O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3CC=C(C)C)C4=CC=C(O)C=C4)C is Ikarisoside D. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@H]4[C@H]([C@@H]([C@H](O[C@@H]4OC[C@@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)NC(=O)C)O[C@@H]7[C@H](O[C@H]([C@@H]([C@H]7O)NC(=O)C)O)CO)CO)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)O)NC(=O)C)O)CO)O)O)CO)CO)O)O)O)O)O is an amino oligosaccharide that is an undecasaccharide in which two tetrasaccharide branches, each formed from fucose, galactose, N-acetylglucosamine and mannose residues linked alpha(1->2), beta(1->4) and beta(1->2) respectively, are linked alpha(1->3) and alpha(1->6) to the mannose residue of a trisaccharide chain consisting of mannose and two N-acetylglucosamine residues all linked beta(1->4) with a beta-configuration of the anomeric carbon of the N-acetylglucosamine residue at the reducing end. It is an amino oligosaccharide and a glucosamine oligosaccharide.
The molecule CC1=C(SC(=N1)C(=O)O)CCOP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O is an 1,3-thiazolemonocarboxylic acid that is ADP in which one of the diphosphate hydrogens has been replaced by a 2-(2-carboxy-4-methyl-1,3-thiazol-5-yl)ethyl group. It derives from an ADP. It is a conjugate acid of an ADP-5-ethyl-4-methylthiazole-2-carboxylate(3-).
The molecule N1N=C(N)C=C1CCC N1N=C(N)C=C1CCC is 5-Propyl-1H-pyrazol-3-ylamine. It is also related to or classified as dicarboximide  . It is also related to or classified as heterocyclic compound .
The molecule CCCCCCCCCCCCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC(=O)O is a fatty acid ester obtained by formal condensation of the carboxy group of octadecanoic acid with the hydroxy group of 13-hydroxyoctadecanoic acid. It is a fatty acid ester and a monocarboxylic acid. It derives from a 13-hydroxyoctadecanoic acid and an octadecanoic acid. It is a conjugate acid of a 13-(octadecanoyloxy)octadecanoate.
The molecule C1=CC=C(C(=C1)O)OC(=O)/C=C\\C=C(/C(=O)O)\\[O-] is a 6-oxo monocarboxylic acid anion. It derives from a sorbate. It is a conjugate base of a 2-hydroxy-6-(2-hydroxyphenoxy)-6-oxo-cis,cis-hexa-2,4-dienoic acid.
The molecule C1COC2=CC=CC=C21 is a member of the class of 1-benzofurans that is the 2,3-dihydroderivative of benzofuran. It has a role as a metabolite.
The molecule [O-]C(=O)\C=C/C=C(/Cl)C([O-])=O [O-]C(=O)\C=C/C=C(/Cl)C([O-])=O is 2-chloro-cis,cis-muconate(2-). Its functional parent is cis,cis-muconate . It is also related to or classified as chlorocarboxylic acid anion .
The molecule CC1=C2C(=CC=C1)C(=C(C(=C2O)C)C/C=C(\\C)/CC/C=C(\\C)/CC/C=C(\\C)/CC/C=C(\\C)/CC/C=C(\\C)/CCC=C(C)C)O is a polyprenylhydroquinone that is menaquinol-6 in which the hydrogen at position 8 on the naphthoquinone ring has been replaced by a methyl group. It has a role as a bacterial metabolite. It is a naphthohydroquinone and a polyprenylhydroquinone.
The molecule CC(CC(=O)[C@H]1C(O1)(C)C)[C@@H]2CC[C@]3([C@]2(CC[C@H]4C3=CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)C is a tirucallane triterpenoid found in Dysoxylum lenticellatum. It has a role as a plant metabolite. It is a cyclic terpene ketone, an epoxide and a tirucallane triterpenoid.
The molecule [207Po] [207Po] is the radioactive isotope of polonium with relative atomic mass 206.981578 and half-life of 5.80 h. It is also related to or classified as polonium atom  .
The molecule C(C(CC/C=C/C=C\[C@H](CCCC([O-])=O)O)=O)/C=C\CCCCC C(C(CC/C=C/C=C\[C@H](CCCC([O-])=O)O)=O)/C=C\CCCCC is an icosanoid anion that is the conjugate base of 10,11-dihydro-12-oxoleukotriene B4, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as icosanoid anion .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)CCC)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC is an N-acylphosphatidylethanolamine in which the N-acyl group is specified as butyryl while the phosphatidyl acyl groups at position 1 and 2 are specified as palmitoyl (hexadecanoyl) and linoleoyl (9Z,12Z-octadecadienoyl) respectively. It derives from a hexadecanoic acid, a linoleic acid and a butyric acid. It is a conjugate acid of a N-butyryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine(1-).
The molecule CC(C)N(C(=O)CCl)c1ccccc1 CC(C)N(C(=O)CCl)c1ccccc1 is an anilide that consists of 2-chloroacetanilide bearing an N-isopropyl substituent. It has the role of herbicide . It has the role of xenobiotic . It has the role of environmental contaminant . It is also related to or classified as anilide  . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as organochlorine compound  .
The molecule [206Po] [206Po] is the radioactive isotope of polonium with relative atomic mass 205.98047 and half-life of 8.8 days. It is also related to or classified as polonium atom  .
The molecule [C@H]1(C(O)=O)O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)OC(=O)CNC(C2=C(C=CC=C2)O)=O [C@H]1(C(O)=O)O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)OC(=O)CNC(C2=C(C=CC=C2)O)=O is A carboxylic ester resulting from the formal condensation of the carboxy group of salicyluric acid with the anomeric hydroxy group of beta-D-glucuronic acid. Its functional parent is salicyluric acid . It is a conjugate acid of salicyluric beta-D-glucuronide(1-) . It is also related to or classified as beta-D-glucosiduronic acid , O-acyl carbohydrate .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)OC(CO)CO is a 2-monoglyceride where the acyl group is (9Z)-octadecenoyl. It is a monooleoylglycerol and a 2-acylglycerol 18:1. It derives from an oleic acid.
The molecule CC1=CC(=O)N(N1C)C2=CC=CC=C2 is a pyrazolone derivative that is 1,2-dihydropyrazol-3-one substituted with methyl groups at C-1 and C-5 and with a phenyl group at N-2. It has a role as a non-narcotic analgesic, an antipyretic, a non-steroidal anti-inflammatory drug, a cyclooxygenase 3 inhibitor, a xenobiotic and an environmental contaminant.
The molecule O1C(C(=O)NCCC2=CC=CC=C2)=CC=C1 O1C(C(=O)NCCC2=CC=CC=C2)=CC=C1 is N-phenethyl-2-furamide. It is also related to or classified as heteroarene  . It is also related to or classified as aromatic amide .
The molecule C=CS(=O)(=O)C=C C=CS(=O)(=O)C=C is A sulfone compound having two S-vinyl substituents. It has the role of cross-linking reagent . It is also related to or classified as sulfone  .
The molecule C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CN)O)O)O is an amino monosaccharide obtained by replacement of the 8-hydroxy group of 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid by an amino group. It is a carbohydrate acid derivative and an amino monosaccharide. It is a tautomer of an 8-amino-3,8-dideoxy-alpha-D-manno-oct-2-ulosonic acid zwitterion.
The molecule CC1=CC(=C(C(=C1)C)C[C@H](C(=O)O)N)C is a 2,4,6-trimethylphenylalanine that has D-configuration at the 2-position. It is a 2,4,6-trimethylphenylalanine and a D-phenylalanine derivative. It is an enantiomer of a L-2,4,6-trimethylphenylalanine.
The molecule C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(CC(=O)O)C(=O)O is the N(6)-(1,2-dicarboxyethyl) derivative of adenosine 5'-monophosphate. It has a role as a fundamental metabolite. It derives from a succinic acid and an adenosine 5'-monophosphate. It is a conjugate acid of a N(6)-(1,2-dicarboxylatoethyl)-AMP(4-).
The molecule CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CC(CCCCCCCCCCC/C=C\\CCCCCCCC)O)O is an N-hydroxytetracosenoylsphingosine-1-phosphocholine in which the N-acyl group is specified as (15Z)-3-hydroxytetracos-15-enoyl. It has a role as a human urinary metabolite.
The molecule CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)O is a fatty acid ester resulting from the formal condensation of the hydroxy group at position-1 of glycerol with the carboxy group of tetracosanoic acid. It has a role as a plant metabolite. It is a 1-monoglyceride and a fatty acid ester. It derives from a glycerol and a tetracosanoic acid.
The molecule FC=1C(NC(=O)C)=C(C=C(F)C1)C#N FC=1C(NC(=O)C)=C(C=C(F)C1)C#N is N1-(2-cyano-4,6-difluorophenyl)acetamide. It is also related to or classified as nitrile  . It is also related to or classified as benzenes .
The molecule [N+](=O)(O)[O-] is a nitrogen oxoacid of formula HNO3 in which the nitrogen atom is bonded to a hydroxy group and by equivalent bonds to the remaining two oxygen atoms. It has a role as a protic solvent and a reagent. It is a conjugate acid of a nitrate.
The molecule C/C=C(\\C)/[C@@H]1C=C[C@@H]2C[C@@H](C[C@@H]([C@H]2[C@@H]1/C(=C/3\\C(=O)[C@H](NC3=O)C[C@](C)(C(=O)O)O)/O)C)C is a member of the class of pyrrolidin-2-ones isolated from the fungal fermentation broth of Chaetomium globosum and shown to exhibit inhibitory activity against chemokine receptor CCR-5. It has a role as a chemokine receptor 5 antagonist and a Chaetomium metabolite. It is a carbobicyclic compound, an enol, a monocarboxylic acid, a member of pyrrolidin-2-ones and a member of octahydronaphthalenes.