anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC[NH3+].CC(C)(C)C([O-])=O CC[NH3+].CC(C)(C)C([O-])=O is an organoammonium salt resulting from the mixing of equimolar amounts of pivalic acid and ethylamine. It is also related to or classified as organoammonium salt .
The molecule C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)N[C@@H](CCC(=O)N)C(=O)[O-] is an N-acyl-L-alpha-amino acid anion resulting from the deprotonation of the carboxy group of N(2)-[4-(2,4-dichlorophenoxy)butanoyl]-L-glutamine. The major species at pH 7.3. It is a conjugate base of a N(2)-[4-(2,4-dichlorophenoxy)butanoyl]-L-glutamine.
The molecule OC(=O)\C=C\C(O)=C\C=O OC(=O)\C=C\C(O)=C\C=O is A muconic semialdehyde that is hexa-2,4-dienoic acid substituted at positions 4 and 6 by hydroxy and oxo groups respectively (the 2E,4Z-isomer). It is a conjugate acid of (2E,4Z)-4-hydroxy-6-oxohexa-2,4-dienoate . It is also related to or classified as 3-oxo aldehyde  . It is also related to or classified as muconic semialdehyde .
The molecule CCOC(=O)\C=C\C1=CC=CO1 CCOC(=O)\C=C\C1=CC=CO1 is an ethyl 3-(2-furyl)acrylate in which the double bond adopts a trans-configuration. It has the role of flavouring agent . It is also related to or classified as ethyl 3-(2-furyl)acrylate  .
The molecule CCCCCC/C=C\\CCCCCCCCO is a member of the class of hexadecen-1-ols that is hexadecanol containing a double bond located at position 9 (the Z-geoisomer). It has a role as an epitope.
The molecule O([C@@H]1[C@@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)CO)C(O[C@@H]([C@H]1O)CO)O)[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO O([C@@H]1[C@@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)CO)C(O[C@@H]([C@H]1O)CO)O)[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO is A trisaccharide that is D-glucopyranose in which the hydroxy groups at positions 2 and 3 have been converted into the corresponding alpha-D-mannopyranosyl and beta-D-galactopyranosyl derivatives, respectively. It is also related to or classified as trisaccharide .
The molecule CCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1 is a benzoate ester resulting from the formal condensation of the carboxy group of benzoic acid with the hydroxy group of hexadecan-1-ol. It has a role as a bacterial xenobiotic metabolite. It derives from a hexadecan-1-ol and a benzoic acid.
The molecule CC[NH3+].[O-][N+]([O-])=O CC[NH3+].[O-][N+]([O-])=O is an organoammonium salt resulting from the mixing of equimolar amounts of nitric acid and ethylamine. First prepared in 1914, it was one of the first ionic liquids found that had a melting point below room temperature (m.p. 12degreeC). It has the role of protic solvent . It is also related to or classified as organoammonium salt , ionic liquid .
The molecule S(OC[C@H]1OC(O)[C@H](NC(=O)C)[C@@H](O)[C@@H]1O[C@@H]2OC(=C(O)[C@H](O)[C@H]2O)C(O)=O)(O)(=O)=O S(OC[C@H]1OC(O)[C@H](NC(=O)C)[C@@H](O)[C@@H]1O[C@@H]2OC(=C(O)[C@H](O)[C@H]2O)C(O)=O)(O)(=O)=O is an oligosaccharide sufate consisting of alpha-L-threo-hex-4-enopyranuronic acid and 2-acetamido-2-deoxy-6-O-sulfo-D-glucopyranose joined in sequence by a (1->4) glycosidic bond.  It is also related to or classified as enol  . It is also related to or classified as amino disaccharide , oligosaccharide sulfate , alpha,beta-unsaturated monocarboxylic acid .
The molecule CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OC[C@@H](C(=O)[O-])[NH3+])CO)O)OC2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O is zwitterionic form of O-(3-O-D-galactosyl-N-acetyl-beta-D-galactosaminyl)-L-serine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3. It is a tautomer of an O-(3-O-D-galactosyl-N-acetyl-beta-D-galactosaminyl)-L-serine.
The molecule NC(CO)(CO)CO.NC(CO)(CO)CO.OC(=O)\C=C/C(O)=O NC(CO)(CO)CO.NC(CO)(CO)CO.OC(=O)\C=C/C(O)=O is A maleate salt resulting from the reaction of tris and maleic acid in the molar ratio tris:maleic acid = 2:1. It has the role of buffer . It is also related to or classified as maleate salt .
The molecule CC(=O)CC(O)=O CC(=O)CC(O)=O is A 3-oxo monocarboxylic acid that is butyric acid bearing a 3-oxo substituent. It has the role of metabolite . Its functional parent is butyric acid . It is a conjugate acid of acetoacetate . It is also related to or classified as 3-oxo fatty acid , ketone body .
The molecule [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)/C=C/CCC/C=C\CCCCCCCCCC)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)/C=C/CCC/C=C\CCCCCCCCCC)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is (2E,7Z)-octadecadi-2,7-enoyl-CoA(4-). Its functional parent is (7Z)-octadecenoyl-CoA(4-) . It is also related to or classified as long-chain 2,3-trans-enoyl CoA(4-)  .
The molecule CCCCCCCC/C=C\\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 is an acyl-CoA(4-) species arising from deprotonation of the phosphate and diphosphate OH groups of cis-dodec-3-enoyl-CoA; major species at pH 7.3. It has a role as a human metabolite. It is a conjugate base of a cis-dodec-3-enoyl-CoA.
The molecule O=C1O[C@@](N(O)N=C1[C@H](CC)C)(C(=O)OCC)[C@H](CC)C O=C1O[C@@](N(O)N=C1[C@H](CC)C)(C(=O)OCC)[C@H](CC)C is Conflamide H. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC[NH3+].CS([O-])(=O)=O CC[NH3+].CS([O-])(=O)=O is an organoammonium salt resulting from the mixing of equimolar amounts of methanesulfonic acid and ethylamine. It is also related to or classified as methanesulfonate salt .
The molecule [H][C@@]12COc3cc(O)ccc3[C@]1([H])Oc1cc(OC)ccc21 [H][C@@]12COc3cc(O)ccc3[C@]1([H])Oc1cc(OC)ccc21 is the (-)-enantiomer of medicarpin. It has the role of plant metabolite . It is also related to or classified as medicarpin  .
The molecule C[C@H](CCC(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)[O-])O)O)O)[C@H]2CC[C@@H]3[C@@]2([C@H](C[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@H](C5)O)C)O)C is a steroid glucuronide anion that is the conjugate base of deoxycholic acid 24-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is a steroid glucosiduronic acid anion, a beta-D-glucosiduronate and a monocarboxylic acid anion. It is a conjugate base of a deoxycholic acid 24-O-(beta-D-glucuronide).
The molecule Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl is an aminobenzoic acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is replaced by a 2,6-dichloro-3-methylphenyl group. A non-steroidal anti-inflammatory drug, it is used as the sodium salt for the treatment of dysmenorrhoea (painful periods), osteoarthritis and rheumatoid arthritis. It has the role of non-steroidal anti-inflammatory drug . It has the role of analgesic . It has the role of antipyretic . It has the role of EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor . It has the role of antineoplastic agent . It has the role of anticonvulsant . It has the role of antirheumatic drug . It has the role of EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor . It is a conjugate acid of meclofenamic acid(1-) .  It is also related to or classified as organochlorine compound  . It is also related to or classified as aminobenzoic acid , secondary amino compound .
The molecule CC(=O)C1=C2C(=CC(=N1)C(=O)N/C=C/C(=O)OC)C3=CC=CC=C3N2 is a beta-carboline alkaloid isolated from Stellaria dichotoma var. lanceolata. S It has a role as a plant metabolite. It is a beta-carboline alkaloid, an organic heterotricyclic compound, a monocarboxylic acid amide, an aromatic ketone and a methyl ester.
The molecule CC(=O)OC1=CC(=NC2=CC=CC=C21)C=CC3=CC(=CC(=C3OC(=O)C)[N+](=O)[O-])OC CC(=O)OC1=CC(=NC2=CC=CC=C21)C=CC3=CC(=CC(=C3OC(=O)C)[N+](=O)[O-])OC is acetic acid [2-[2-(2-acetyloxy-5-methoxy-3-nitrophenyl)ethenyl]-4-quinolinyl] ester. It is also related to or classified as aromatic ether , C-nitro compound .
The molecule CN(C)C1=CC2=C(C=C1)NC3=C(O2)C(=O)C(=O)C=C3C(=O)[NH3+] is an organic cation that is 3,4-dihydroxyphenoxazin-5-ium carrying additional carbamoyl and dimethylamino groups at positions 1 and 7 respectively. The chloride salt is the histological dye 'Gallamin blue'. It has a role as a fluorochrome and a histological dye.
The molecule CC[NH3+].[H]C([O-])=O CC[NH3+].[H]C([O-])=O is an organoammonium salt resulting from the mixing of equimolar amounts of formic acid and ethylamine. It is also related to or classified as organoammonium salt .
The molecule CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N=CCCCC=NC3=CC=C(C=C3)N)C(=O)O)C is penicillanic acid carrying a (p-aminophenyl)imino]pentylidene}amino substituent at the 6beta position. It has been used as a hapten in the production of a generic monoclonal antibody for determining penicillin residues in milk. It has a role as a hapten.
The molecule [K+].[O-]S(=O)(=O)CCN1CCOCC1 [K+].[O-]S(=O)(=O)CCN1CCOCC1 is the organic potassium salt that is the potassium salt of 2-(N-morpholino)ethanesulfonic acid. It is also related to or classified as organic potassium salt .
The molecule O1B(O[B-]2(OB(O[B-]1(O[H])O2)O[H])O[H])O[H].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O O1B(O[B-]2(OB(O[B-]1(O[H])O2)O[H])O[H])O[H].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O is A hydrate that is the decahydrate form of disodium tetraborate. It has the role of buffer .  It is also related to or classified as mineral  . It is also related to or classified as hydrate .
The molecule CCOC1CCC(=O)O1 is a butan-4-olide that is gamma-butyrolactone substituted by an ethoxy group at position 5. It has a role as a metabolite. It derives from a gamma-butyrolactone.
The molecule CC[NH3+].CC([O-])=O CC[NH3+].CC([O-])=O is an organoammonium salt resulting from the mixing of equimolar amounts of acetic acid and ethylamine. It is also related to or classified as organoammonium salt .
The molecule C1=CC=C(C=C1)COC(=O)C2=CN=CC=C2 is a benzyl ester resulting from the formal condensation of the carboxy group of nicotinic acid with benzyl alcohol. It has been used as a rubefacient. It has a role as a vasodilator agent. It derives from a nicotinic acid.
The molecule C1=CC(=C(C(=C1Cl)CC(=O)[O-])Cl)Cl.[Na+] is an organic sodium salt comprising equimolar amounts of chlorfenac(1-) anions and sodium cations. An obsolete herbicide. It has a role as an agrochemical, a herbicide and a synthetic auxin. It contains a chlorfenac(1-).
The molecule OP(O)(O)=O.NC(CO)(CO)CO OP(O)(O)=O.NC(CO)(CO)CO is A phosphate salt resulting from the reaction of equimolar amounts of tris and phosphoric acid. It has the role of buffer . It is also related to or classified as phosphate salt .
The molecule [Na+].[Na+].[H]OB1O[B-]2(O[H])OB(O[H])O[B-](O[H])(O1)O2 [Na+].[Na+].[H]OB1O[B-]2(O[H])OB(O[H])O[B-](O[H])(O1)O2 is disodium tetraborate.  It is also related to or classified as mineral  . It is also related to or classified as inorganic sodium salt .
The molecule O=C1O[C@](N(O)N=C1[C@H](CC)C)(C(=O)OCC)[C@H](CC)C O=C1O[C@](N(O)N=C1[C@H](CC)C)(C(=O)OCC)[C@H](CC)C is Conflamide I. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O(CCCCCCC(/C=C\CCCCC)C)C(=O)C O(CCCCCCC(/C=C\CCCCC)C)C(=O)C is an acetate ester derived from (8Z)-7-methyl-8-tetradecen-1-ol. It is also related to or classified as acetate ester  .
The molecule C[C@H]1C=CC(=O)O[C@H]1/C=C/C(=C/[C@H](C)C/C=C/C(=C/[C@@H](C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C/C(=C/C(=O)O)/C)O)/C)/C is a leptomycin having all-trans double bonds and a seventh methyl substituent at position 17. It has a role as an antifungal agent and a bacterial metabolite. It is a leptomycin and a hydroxy polyunsaturated fatty acid. It derives from a tetracosanoic acid.
The molecule [NH3+]CCO.[O-][N+]([O-])=O [NH3+]CCO.[O-][N+]([O-])=O is an organoammonium salt resulting from the mixing of equimolar amounts of nitric acid and ethanolamine. It has the role of protic solvent . It is also related to or classified as organoammonium salt , ionic liquid .
The molecule CC1=CC(=CC(=C1)OC2=NC=CC(=N2)C3=C(N=CN3C4CCNCC4)C5=CC=C(C=C5)F)C is a piperidinylimidazole that is 1H-imidazole carrying a piperidin-4-yl group, 4-fluorophenyl group and a 2-(3,5-dimethylphenoxy)pyrimidin-4-yl group at positions 1, 4 and 5 respectively. It is a potent inhibitor of p38alpha mitogen-activated protein kinase and BRD4. It has a role as a bromodomain-containing protein 4 inhibitor and an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a member of monofluorobenzenes, an aryloxypyrimidine and a piperidinylimidazole.
The molecule C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC6=C(C=C5)C=C(C=C6)C(=O)O)O is a naphthoic acid that is 6-phenylnaphthylene-2-carboxyic acid in which the phenyl substituent has been substituted at positions 3 and 4 by adamant-1-yl and hydroxy groups, respectively. It acts as a selective agonist of retinoic acid receptor (RAR)gamma and induces cell cycle arrest and apoptosis in various cancer cells. It has a role as an apoptosis inducer and a retinoic acid receptor gamma agonist. It is a member of adamantanes, a monocarboxylic acid, a naphthoic acid and a member of phenols.
The molecule OC(CC(O)=O)=C OC(CC(O)=O)=C is A 3-hydroxymonocarboxylic acid that is the 3-hydroxy derivative of 3-butenoic acid. It is also related to or classified as 3-hydroxymonocarboxylic acid  . It is also related to or classified as enol  .
The molecule CCCCCCCCCCCO is a fatty alcohol that is undecane substituted by a hydroxy group at position 1. It has a role as a metabolite. It is a fatty alcohol and a primary alcohol.
The molecule [O-][N+]([O-])=O.OCC[NH2+]CCO [O-][N+]([O-])=O.OCC[NH2+]CCO is an organoammonium salt resulting from the mixing of equimolar amounts of nitric acid and diethanolamine. It has the role of protic solvent . It is also related to or classified as organoammonium salt , ionic liquid .
The molecule CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O is an amino trisaccharide consisting of beta-D-galactopyranose, beta-D-glucopyranose and 2-acetamido-2-deoxy-D-galactopyranose residues joined in sequence by (1->4) and (1->3) glycosidic bonds. It is an amino trisaccharide and a member of acetamides. It derives from a beta-lactose.
The molecule CN(C)CCO[C@@H](C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C(=C\\C(=O)O)\\C(=O)O is the maleic acid salt of (S)-carbinoxamine. It has a role as a H1-receptor antagonist, an anti-allergic agent, a muscarinic antagonist and an antiparkinson drug. It contains a (S)-carbinoxamine.
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]2C(=O)N)O[C@@H]3[C@@H]([C@H]([C@H](O[C@@H]3C(=O)N)O[C@@H]4[C@H]([C@@H](O[C@@H]([C@H]4O)C)O[C@@H]5[C@H](O[C@H]([C@H]([C@H]5O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)N)O[C@@H]8[C@H](O[C@@H]([C@H]([C@H]8O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O[C@@H]1[C@@H](C[C@@](O[C@@H]1[C@@H](CO)O)(C(=O)O)O)O)CO)CO)NC(=O)C)NC(=O)C)O)NC(=O)C)O)O)O)NC=O is an amino oligosaccharide that is a branched decasaccharide derivative comprised of a mannose residue to which is linked an N-acetylgalactosaminyl residue at O-2, a glucosyl residue at O-3 and a beta-D-QuiN4Fm-(1->4)-alpha-D-GalNAcAN-(1->4)-alpha-D-GalNAcAN-(1->3)-beta-D-QuiNAc tetrasaccharide chain at O-4, all linked to an [alpha-D-Glc-(1->2)]-alpha-D-Man-(1->5)-alpha-Kdo branched trisaccharide unit. It is an amino oligosaccharide and a galactosamine oligosaccharide.
The molecule CC(CCC(C)C)=NO CC(CCC(C)C)=NO is A ketoxime derived from 5-methylhexan-2-one. Its functional parent is 5-methyl-2-hexanone . It is also related to or classified as ketoxime  .
The molecule O=C(O)[C@H](CC1=CC=CC=C1)CC(=O)[C@H](C(=O)[C@@H](N=C(N)N)CCCN=C(N)N)CC2=CC=CC=C2 O=C(O)[C@H](CC1=CC=CC=C1)CC(=O)[C@H](C(=O)[C@@H](N=C(N)N)CCCN=C(N)N)CC2=CC=CC=C2 is Ketomemicin B4. It is also related to or classified as benzenes , organic amino compound .
The molecule OC(=O)\C=C\CN\C=C1\N=C(OC1=O)c1ccccc1 OC(=O)\C=C\CN\C=C1\N=C(OC1=O)c1ccccc1 is A monocarboxylic acid that is but-2-enoic acid in which one of the hydrogens at position 4 is substituted by a [(E)-(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]amino moiety.   It is also related to or classified as enamine  . It is also related to or classified as monocarboxylic acid , 1,3-oxazoles .
The molecule CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)C)O is a N-acylsphingosine 1-phosphate in which the N-acyl group is specified as acetyl. It derives from a N-acetylsphingosine. It is a conjugate acid of a N-acetylsphingosine 1-phosphate(2-).
The molecule C1C(CN=C1C(=O)O)O is a 1-pyrrolinecarboxylic acid having a hydroxy substituent at the 4-position. It has a role as a mouse metabolite. It is a dehydroamino acid and a 1-pyrrolinecarboxylic acid. It is a conjugate acid of a 4-hydroxy-1-pyrroline-2-carboxylate.
The molecule S([C@@H]1NC(=O)/C(=C/C2=CC=C(OCC=C(C)C)C=C2)/NC1=O)C S([C@@H]1NC(=O)/C(=C/C2=CC=C(OCC=C(C)C)C=C2)/NC1=O)C is SCH-56396. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C1=CC=C(C=C1)NC=C2C(=O)N(C(=S)S2)CC(=O)O C1=CC=C(C=C1)NC=C2C(=O)N(C(=S)S2)CC(=O)O is 2-[5-(anilinomethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC(C)CCCC(C)CCC(=O)OC(CC([O-])=O)C[N+](C)(C)C CC(C)CCCC(C)CCC(=O)OC(CC([O-])=O)C[N+](C)(C)C is an O-acylcarnitine compound having 4,8-dimethylnonanoyl as the acyl substituent. Its functional parent is carnitine . It is also related to or classified as O-(dimethylnonanoyl)carnitine  . It is also related to or classified as carboxylic ester  . It is also related to or classified as ammonium betaine .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCCCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O)O)O)O)O is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#37. It derives from an oscr#37. It is a conjugate acid of an oscr#37-CoA(4-).
The molecule [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)C[C@H](CCC/C=C\CCCCCCCCCC)O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)C[C@H](CCC/C=C\CCCCCCCCCC)O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is (3S)-hydroxy-(7Z)-octadec-7-enoyl-CoA(4-). It is also related to or classified as long-chain (3S)-hydroxy fatty acyl-CoA(4-)  . It is also related to or classified as monounsaturated fatty acyl-CoA(4-)  .
The molecule C[C@H]1[C@H]([C@H]([C@@H](C(O1)O[C@H]2[C@@H]([C@H](OC([C@@H]2NC(=O)C)OC[C@H]([C@@H]([C@@H]([C@H](CO)NC(=O)C)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)OC4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)NC(=O)C)OC5[C@H]([C@@H]([C@@H]([C@@H](O5)C)O)O)O)NC(=O)C)O)O)CO)OC6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)NC(=O)C)O)O)O is an oligosaccharide derivative consisting of -D-GalNAc-ol at the reducing end with two[D-GalNAc-(1->4)-[L-Fuc-(1->3)]-D-GlcNAc] moieties attached via (1->3)- and (1->6)-linkages. It has a role as a carbohydrate allergen.
The molecule CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)Cc1cc(O)cc(O)c1 CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)Cc1cc(O)cc(O)c1 is an acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of 3,5-dihydroxyphenylacetyl-CoA; major species at pH 7.3. It is also related to or classified as acyl-CoA(4-)  .
The molecule C=C1CC[C@@]2([H])[C@]1(C)[C@@]3(CC(C)(C)C[C@]3([H])C2)[H] C=C1CC[C@@]2([H])[C@]1(C)[C@@]3(CC(C)(C)C[C@]3([H])C2)[H] is A sesquiterpene produced by a sesquiterpene synthase from stereum hirsutum. It has the role of fungal metabolite . It is also related to or classified as sesquiterpene  . It is also related to or classified as tricyclic hydrocarbon .
The molecule C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3(CCCC3)O)O[C@H]1CN(C)C(=O)C4=CN=CC=C4)[C@@H](C)CO C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3(CCCC3)O)O[C@H]1CN(C)C(=O)C4=CN=CC=C4)[C@@H](C)CO is N-[[(4S,5R)-8-[2-(1-hydroxycyclopentyl)ethynyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-3-pyridinecarboxamide. Its functional parent is nicotinamide . It is also related to or classified as pyridinecarboxamide .
The molecule C([C@H]([C@@H](C(=O)CO)O)O)O is the D-enantiomer of xylulose. It has a role as a human metabolite, an Escherichia coli metabolite, a Saccharomyces cerevisiae metabolite and a mouse metabolite. It is an enantiomer of a L-xylulose.
The molecule CCCCCCCCCCCCCC(=O)CC(=O)CCCC is a beta-diketone that is icosane in which the methylene hydrogens at positions 5 and 7 have been replaced by oxo groups. It has a role as a mouse metabolite and a rat metabolite. It derives from a hydride of an icosane.
The molecule CC(=O)N[C@H]1[C@@H](O[C@H](CO)[C@H](OS(O)(=O)=O)[C@@H]1O[C@@H]1O[C@@H]([C@H](O)[C@@H](O)[C@@H]1O)C(O)=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]4CO[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3O)[C@@H]2O)O[C@@H]1C(O)=O CC(=O)N[C@H]1[C@@H](O[C@H](CO)[C@H](OS(O)(=O)=O)[C@@H]1O[C@@H]1O[C@@H]([C@H](O)[C@@H](O)[C@@H]1O)C(O)=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]4CO[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3O)[C@@H]2O)O[C@@H]1C(O)=O is an amino hexasaccharide comprising an iduronic acid residue, an acetylated galactosamine residue, sulfated on O-4, a glucuronic acid residue, and two galactose residues, linked to a xylose residue at the reducing end. It is an intermediate in the dermatan sulfate degradation pathway. It is also related to or classified as amino hexasaccharide .
The molecule CN1[C@@H]2CCC[C@H]1CC(=O)C2 is an azabicycloalkane alkaloid that is 9-azabicyclo[3.3.1]nonane substituted by a methyl group at position 9 and an oxo group at position 3. It is found in pomegranate trees. It has a role as a plant metabolite. It is an alkaloid, a cyclic ketone, a tertiary amino compound and an azabicycloalkane.
The molecule CCCCCC(=O)CC(=O)CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 CCCCCC(=O)CC(=O)CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 is an oxo fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3,5,7-trioxododecanoic acid. It is a conjugate acid of 3,5,7-trioxododecanoyl-CoA(4-) . It is also related to or classified as 3-oxo-fatty acyl-CoA  . It is also related to or classified as medium-chain fatty acyl-CoA .
The molecule C\\1=CC(=O)O/C1=C\\C(=O)C(=O)[O-] is a 2-oxo monocarboxylic acid anion that is the conjugate base of 2-oxo-3-(5-oxofuran-2-ylidene)propanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a 2-oxo-3-(5-oxofuran-2-ylidene)propanoic acid.
The molecule O[As]([O-])[O-] O[As]([O-])[O-] is an arsenite ion resulting from the removal of a proton from two of the hydroxy groups of arsenous acid. It is a conjugate acid of arsenite(3-) . It is also related to or classified as arsenite ion , divalent inorganic anion .
The molecule CC1=CC=CC=C1NC2=C(C(=CC(=N2)C)COC)C#N CC1=CC=CC=C1NC2=C(C(=CC(=N2)C)COC)C#N is 4-(methoxymethyl)-6-methyl-2-(2-methylanilino)-3-pyridinecarbonitrile. It is also related to or classified as nitrile  . It is also related to or classified as pyridines .
The molecule O[C@@H](Cc1ccc(F)cc1)[C@H](c1ccc(cc1)C#N)n1cncn1 O[C@@H](Cc1ccc(F)cc1)[C@H](c1ccc(cc1)C#N)n1cncn1 is A triazole that is benzonitrile substituted by a (1S,2S)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl group at position 4. Its functional parent is benzonitrile . It is also related to or classified as secondary alcohol  .  It is also related to or classified as organofluorine compound  . It is also related to or classified as triazoles .