anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [O-][N+](=O)OC[C@@H](O[N+]([O-])=O)[C@H](CO[N+]([O-])=O)O[N+]([O-])=O [O-][N+](=O)OC[C@@H](O[N+]([O-])=O)[C@H](CO[N+]([O-])=O)O[N+]([O-])=O is erythritol in which each of the hydroxy groups has been converted to the corresponding nitrate ester. It is a vasodilator with properties similar to nitroglycerin. It is usually used diluted with lactose or other suitable inert excipients, in order to minimise the risk of explosion; undiluted erythrityl tetranitrate can be exploded by percussion or excessive heat. It has the role of vasodilator agent . It has the role of explosive . Its functional parent is erythritol . It is also related to or classified as nitrate ester .
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC=C(C(=O)C3=C(O)C2)C4=CC=C(OC)C=C4)COC(=O)CC(O)=O O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC=C(C(=O)C3=C(O)C2)C4=CC=C(OC)C=C4)COC(=O)CC(O)=O is Bichanin A 7-O-glucoside-6''-malonate. It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .
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)C=C 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)C=C is the S-acryloyl derivative of coenzyme A. It has the role of mouse metabolite . Its functional parent is coenzyme A . Its functional parent is acrylic acid . It is a conjugate acid of acryloyl-CoA(4-) . It is also related to or classified as monounsaturated fatty acyl-CoA , 2-enoyl-CoA .
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 hydroperoxyicosatrienoate that is the conjugate base of (8Z,12E,14Z)-11-hydroperoxyicosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is all-cis-icosa-8,11,14-trienoate .  It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as hydroperoxyicosatrienoate .
The molecule [C@H]1(C[C@]2([C@]3([C@@]1(C([C@@]2(CC[C@@H]3C(C)C)C)=C)[H])[H])[H])O [C@H]1(C[C@]2([C@]3([C@@]1(C([C@@]2(CC[C@@H]3C(C)C)C)=C)[H])[H])[H])O is (-)-15-hydroxysativene. It has the role of fungal metabolite .  It is also related to or classified as sesquiterpene  . It is also related to or classified as organic hydroxy compound , bridged compound .
The molecule OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O1)C(O)=C(O)C=C2O OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O1)C(O)=C(O)C=C2O is A pentahydroxyflavone that is kaempferol substituted by a hydroxy group at position 8. It is a natural flavonoid from flaxseed which exerts antioxidant, anti-inflammatory and anticancer activities. It has the role of EC 4.1.1.17 (ornithine decarboxylase) inhibitor . It has the role of EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor . It has the role of antineoplastic agent . It has the role of antilipemic drug . It has the role of angiogenesis inhibitor . It has the role of anti-inflammatory agent . It has the role of apoptosis inducer . It has the role of plant metabolite . Its functional parent is kaempferol .  It is also related to or classified as 7-hydroxyflavonol  . It is also related to or classified as pentahydroxyflavone .
The molecule O1C([C@H](O)C(OC(=O)C)[C@H](OC(=O)C)[C@@H]1OC=2C(=O)C=3C(OC2C4=CC=C(O)C=C4)=CC(O[C@@H]5OC([C@H](O)C(O)[C@@H]5O)C)=CC3O)C O1C([C@H](O)C(OC(=O)C)[C@H](OC(=O)C)[C@@H]1OC=2C(=O)C=3C(OC2C4=CC=C(O)C=C4)=CC(O[C@@H]5OC([C@H](O)C(O)[C@@H]5O)C)=CC3O)C is Kaempferol 3-(2'',3''-diacetylrhamnoside)-7-rhamnoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule COc1cc(cc(OC)c1O)\C=C\C(=O)OC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O COc1cc(cc(OC)c1O)\C=C\C(=O)OC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O is the 6-O-sinapoyl derivative of D-glucono-1,5-lactone. It has the role of plant metabolite . Its functional parent is trans-sinapic acid . Its functional parent is D-glucono-1,5-lactone . It is also related to or classified as gluconolactone .
The molecule P(CC[N+](C)(C)C)(OCC(OC(=O)C)COC(=O)C)(=O)[O-] P(CC[N+](C)(C)C)(OCC(OC(=O)C)COC(=O)C)(=O)[O-] is diacylglycerol 2-trimethylaminoethylphosphonate. It is also related to or classified as carboxylic ester  . It is also related to or classified as glycerophosphonolipid .
The molecule [H][Sb-]([H])[H] [H][Sb-]([H])[H] is trihydridoantimonate(.1-). It is also related to or classified as inorganic radical anion , antimony hydride .
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 hydroperoxyicosatrienoate that is the conjugate base of (8Z,11Z,14Z)-10-hydroperoxyicosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is all-cis-icosa-8,11,14-trienoate .  It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as hydroperoxyicosatrienoate .
The molecule CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=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 CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=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 unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of all-cis-icosa-8,11,14-trienoic acid. It has the role of human metabolite . Its functional parent is all-cis-icosa-8,11,14-trienoic acid . It is a conjugate acid of (8Z,11Z,14Z)-icosatrienoyl-CoA(4-) . It is also related to or classified as long-chain fatty acyl-CoA  . It is also related to or classified as unsaturated fatty acyl-CoA .
The molecule O1[C@@H](OC2=C(C=3OC(CC(=O)C3C=C2C)C4=CC=CC=C4)C)C(O)[C@@H](O)[C@@H](O)C1 O1[C@@H](OC2=C(C=3OC(CC(=O)C3C=C2C)C4=CC=CC=C4)C)C(O)[C@@H](O)[C@@H](O)C1 is 7-Hydroxy-6,8-di-C-methylflavanone 7-O-arabinoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [O-]C(=O)C=C [O-]C(=O)C=C is acrylate. It has the role of human metabolite . It is also related to or classified as monocarboxylic acid anion  .
The molecule [H]O[Sb]([O-])(=O)O[H] [H]O[Sb]([O-])(=O)O[H] is A monovalent inorganic anion that consists of antimonic acid where one of the three OH groups has been deprotonated. It is a conjugate acid of antimonate(2-) . It is also related to or classified as antimony oxoanion , monovalent inorganic anion .
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 hydroperoxyicosatrienoate that is the conjugate base of (8R,9E,11Z,14Z)-8-hydroperoxyicosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is all-cis-icosa-8,11,14-trienoate .  It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as hydroperoxyicosatrienoate .
The molecule S=P(OC)(OC1=CC=C(C=C1)SC2=CC=C(C=C2)OP(=S)(OC)OC)OC S=P(OC)(OC1=CC=C(C=C1)SC2=CC=C(C=C2)OP(=S)(OC)OC)OC is an organic sulfide that is diphenyl sulfide in which the hydrogen at the para position of each of the phenyl groups has been replaced by a (dimethoxyphosphorothioyl)oxy group. It has the role of acaricide . It has the role of agrochemical . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . It has the role of ectoparasiticide . Its functional parent is 4,4'-thiodiphenol . It is also related to or classified as organic sulfide  . It is also related to or classified as organothiophosphate insecticide , organic thiophosphate .
The molecule CC(\C=C\[C@@]1(O)C(C)=CC(=O)C[C@]1(C)CO)=C\C([O-])=O CC(\C=C\[C@@]1(O)C(C)=CC(=O)C[C@]1(C)CO)=C\C([O-])=O is conjugate base of (+)-8'-hydroxyabscisic acid. It is also related to or classified as hydroxy monocarboxylic acid anion .
The molecule OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1 OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1 is digallic acid. Its functional parent is gallic acid . It is a conjugate acid of digallate . It is also related to or classified as gallate ester , benzoate ester .
The molecule C(=O)(CCC=1C=CC(OCC(CNC(C)C)O)=CC1)OC C(=O)(CCC=1C=CC(OCC(CNC(C)C)O)=CC1)OC is A methyl ester that is methyl 3-(4-hydroxyphenyl)propanoate in which the hydrogen attached to the phenolic hydroxy group is substituted by a 2-hydroxy-3-(isopropylamino)propyl group. Its functional parent is 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoic acid .  It is also related to or classified as methyl ester  .  It is also related to or classified as secondary alcohol  . It is also related to or classified as ethanolamines , aromatic ether , secondary amino compound .
The molecule CCCSP(=S)(OCC)Oc1ccc(SC)cc1 CCCSP(=S)(OCC)Oc1ccc(SC)cc1 is sulprofos. It has the role of agrochemical . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . Its functional parent is 4-(methylsulfanyl)phenol . It is also related to or classified as organothiophosphate insecticide , organosulfur compound , organic thiophosphate .
The molecule O=S(C1=CC=C(C)C=C1)(N/N=C/C2=CC(Br)=CC=C2O)=O O=S(C1=CC=C(C)C=C1)(N/N=C/C2=CC(Br)=CC=C2O)=O is dCeMM1 is a RBM39 glue degrader. dCeMM1 shows functions by re-directing the activity of the CRL4DCAF15 ligase. dCeMM1 decreases the expression of RBM39 levels in WT KBM7 cells. It is also related to or classified as organic molecular entity .
The molecule CC(=O)OCCc1ccccc1 CC(=O)OCCc1ccccc1 is the acetate ester of 2-phenylethanol. It has the role of metabolite . It has the role of Saccharomyces cerevisiae metabolite . Its functional parent is 2-phenylethanol . It is also related to or classified as acetate ester  .
The molecule C1(C2=C(C=C(C(=C2)Br)Br)Br)=C(C=C(C(=C1)Br)Br)Br C1(C2=C(C=C(C(=C2)Br)Br)Br)=C(C=C(C(=C1)Br)Br)Br is A polybromobiphenyl that is biphenyl in which the hydrogens at positions 2, 2', 4, 4', 5, and 5' have been replace by bromines. It is also related to or classified as polybromobiphenyl , brominated flame retardant .
The molecule [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)CC2=CC(=O)CC[C@]12C [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@H](O)CC2=CC(=O)CC[C@]12C is 7alpha-hydroxyandrost-4-ene-3,17-dione. It is also related to or classified as 17-oxo steroid  . It is also related to or classified as 7alpha-hydroxy steroid  . It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as androstanoid .
The molecule CCCCCCCCCCCCCCCC(=O)[C@@H]([NH3+])CO CCCCCCCCCCCCCCCC(=O)[C@@H]([NH3+])CO is A cationic sphingoid that is the conjugate acid of 3-dehydrosphinganine; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is a conjugate acid of 3-dehydrosphinganine . It is also related to or classified as 3-dehydrosphingoid base(1+)  .
The molecule Cc1ncc(COP([O-])(=O)OP([O-])([O-])=O)c(N)n1 Cc1ncc(COP([O-])(=O)OP([O-])([O-])=O)c(N)n1 is trianion of 4-amino-2-methyl-5-diphosphooxymethylpyrimidine arising from deprotonation of the diphosphate OH groups; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as organophosphate oxoanion .
The molecule [H]C(=C)C([H])=O [H]C(=C)C([H])=O is an enal that is prop-2-ene with an oxo group at position 1. It has the role of herbicide . It has the role of toxin . It has the role of human xenobiotic metabolite . It is also related to or classified as enal  .
The molecule [H][Sb+]([H])([H])[H] [H][Sb+]([H])([H])[H] is stibonium. It is a conjugate acid of stibane . It is also related to or classified as antimony hydride , onium cation .
The molecule C1=COC=CO1 C1=COC=CO1 is an oxacycle that is 4H-pyran in which the methylene group at position 4 is replaced by an oxygen. Non-aromatic. It is also related to or classified as oxacycle .
The molecule [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)C [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)C is 7alpha,12alpha-dihydroxycholest-4-en-3-one. It has the role of mouse metabolite . It has the role of human metabolite . It is also related to or classified as 7alpha-hydroxy steroid  .  It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as 12alpha-hydroxy steroid , cholestanoid .
The molecule OC(C(NCCC(O)C(O)=O)C(O)=O)CNCC(O)=O OC(C(NCCC(O)C(O)=O)C(O)=O)CNCC(O)=O is Distichonic acid A. Its functional parent is gamma-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CN1CCC2(C1Nc1ccccc21)C12CCN(C)C1Nc1ccccc21 CN1CCC2(C1Nc1ccccc21)C12CCN(C)C1Nc1ccccc21 is A ring assembly that is 2,2',3,3',8,8',8a,8a'-octahydro-1H,1'H-3a,3a'-bipyrrolo[2,3-b]indole substituted by methyl groups at positions 1 and 1'. It is also related to or classified as ring assembly , calycanthaceous alkaloid , pyrroloindole .
The molecule Oc1ccccc1C([O-])=O Oc1ccccc1C([O-])=O is A monohydroxybenzoate that is the conjugate base of salicylic acid. It has the role of plant metabolite . It is also related to or classified as monohydroxybenzoate .
The molecule CCOP(=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C CCOP(=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C is isofenphos. It has the role of agrochemical . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . Its functional parent is isopropyl salicylate .   It is also related to or classified as isopropyl ester  . It is also related to or classified as organothiophosphate insecticide , salicylates , organic phosphonate , phosphonic ester .
The molecule OC(=O)CCCC([O-])=O OC(=O)CCCC([O-])=O is A dicarboxylic acid monoanion that is the conjugate base of glutaric acid. It has the role of human metabolite . It is a conjugate acid of glutarate(2-) . It is also related to or classified as glutarate , dicarboxylic acid monoanion .
The molecule C(CCCCCCC/C=C\CCCCCC)(=O)NCC([O-])=O C(CCCCCCC/C=C\CCCCCC)(=O)NCC([O-])=O is an N-acylglycinate resulting from the deprotonation of the carboxy group of N-[(9Z)-hexadecenoyl]glycine. The major species at pH 7.3. It is also related to or classified as N-(fatty acyl)-glycine(1-)  . It is also related to or classified as N-acylglycinate  .
The molecule CCCCCCCCCC1=CC(OC(=O)C2=C(CCCCCCCCC)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1C(O)=O CCCCCCCCCC1=CC(OC(=O)C2=C(CCCCCCCCC)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1C(O)=O is A monosaccharide derivative that is 4-(2,4-dihydroxy-6-nonylbenzoyloxy)-2-hydroxy-6-nonylbenzoic acid in which the hydroxy group at position 2 is replaced by a beta-D-glucopyranosyloxy group. It has the role of anti-HBV agent . It has the role of fungal metabolite . Its functional parent is 4-(2,4-dihydroxy-6-nonylbenzoyloxy)-2-hydroxy-6-nonylbenzoic acid . It is a conjugate acid of exophillate . It is also related to or classified as beta-D-glucoside  .    It is also related to or classified as phenols  . It is also related to or classified as monohydroxybenzoic acid , benzoate ester , monosaccharide derivative .
The molecule CC(=O)CC(=O)C([O-])=O CC(=O)CC(=O)C([O-])=O is acetylpyruvate. Its functional parent is valerate . It is also related to or classified as 2-oxo monocarboxylic acid anion  .
The molecule C(CCCCCCCC(=O)NCC([O-])=O)CCCCCCCCC C(CCCCCCCC(=O)NCC([O-])=O)CCCCCCCCC is an N-acylglycinate resulting from the deprotonation of the carboxy group of N-octadecanoylglycine. The major species at pH 7.3. It is also related to or classified as N-(fatty acyl)-glycine(1-)  . It is also related to or classified as N-acylglycinate  .
The molecule [Br-].CCCCCCCCCCCCCCCC[N+](C)(C)C [Br-].CCCCCCCCCCCCCCCC[N+](C)(C)C is the organic bromide salt that is the bromide salt of cetyltrimethylammonium; one of the components of the topical antiseptic cetrimide. It has the role of detergent . It has the role of surfactant . It is also related to or classified as quaternary ammonium salt , organic bromide salt .
The molecule CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OS([O-])(=O)=O CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OS([O-])(=O)=O is the 2-O-sulfonato-2'-O-hexadecanoyl derivative of alpha,alpha-trehalose. Its functional parent is alpha,alpha-trehalose . It is also related to or classified as organosulfate oxoanion  . It is also related to or classified as trehalose sulfate , polyacyl alpha,alpha-trehalose derivative .
The molecule CCOP(=S)(OC(C)C)Oc1cnc(nc1)C(C)(C)C CCOP(=S)(OC(C)C)Oc1cnc(nc1)C(C)(C)C is tebupirimfos. It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . Its functional parent is 2-tert-butylpyrimidin-5-ol . It is also related to or classified as organothiophosphate insecticide , organic thiophosphate .
The molecule O=C1O[C@@H](CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C(C(O)=CC=C6)C(C5C(=C4[C@H](OC(=O)C)CC3C2)OC)=O)C O=C1O[C@@H](CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C(C(O)=CC=C6)C(C5C(=C4[C@H](OC(=O)C)CC3C2)OC)=O)C is Hexaricin B. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule Cn1cnc2nc(N)[nH]c(=O)c12 Cn1cnc2nc(N)[nH]c(=O)c12 is A 7-methylguanine that is 1,7-dihydro-6H-purin-6-one substituted by an amino group at position 2 and a methyl group at position 7. It is also related to or classified as 7-methylguanine  .
The molecule CCCCCCCCCCCCCCC[C@@H](O)[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OS([O-])(=O)=O)[C@@H]1OC(=O)CCCCCCCCCCCCCCC CCCCCCCCCCCCCCC[C@@H](O)[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OS([O-])(=O)=O)[C@@H]1OC(=O)CCCCCCCCCCCCCCC is A derivative of alpha,alpha-trehalose having an O-sulfo group at the 2 position and two long chain fatty acyl substituents at the 2'- and 3'-positions. Its functional parent is alpha,alpha-trehalose . It is also related to or classified as organosulfate oxoanion  . It is also related to or classified as trehalose sulfate , polyacyl alpha,alpha-trehalose derivative .
The molecule CNC(N)=[NH2+] CNC(N)=[NH2+] is A guanidinium ion that is the conjugate acid of methylguanidine; major species at pH 7.3. It is a conjugate acid of methylguanidine . It is also related to or classified as guanidinium ion  .
The molecule C[C@H]1O[C@H](O)[C@@H](O)[C@@H](O[C@H]2O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]2O)[C@@H]1NC=O C[C@H]1O[C@H](O)[C@@H](O)[C@@H](O[C@H]2O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]2O)[C@@H]1NC=O is an amino disaccharide consisting of two N-formyl-alpha-D-perosamine residues linked (1->3); forms the minimal structure for the M epitope of Brucella spp. It has the role of epitope . It is also related to or classified as amino disaccharide .
The molecule [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)C(O)=O)O)O)O)OCCN [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)C(O)=O)O)O)O)OCCN is A beta-D-glucoside that is the 2-aminoethyl glycoside of the monosaccharide derivative beta-D-glucopyranuronic acid. It is also related to or classified as beta-D-glucoside  . It is also related to or classified as monosaccharide derivative .
The molecule CC1=C(O)N(C[C@H](O)[C@H](O)[C@H](O)CO)C2=NC(=O)NC(=O)C2=N1 CC1=C(O)N(C[C@H](O)[C@H](O)[C@H](O)CO)C2=NC(=O)NC(=O)C2=N1 is the pteridine that is lumazine substituted with a methyl group at C-6, a hydroxy group at C-7 and a 1-D-ribityl group at N-8. It has the role of EC 2.5.1.9 (riboflavin synthase) inhibitor . Its functional parent is ribitol . Its functional parent is lumazine . It is a conjugate acid of 7-hydroxy-6-methyl-8-(1-D-ribityl)lumazine(1-) . It is also related to or classified as pteridines .
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(C=3O[C@@H](CC(=O)C3C(O)=C2C)C4=CC=C(O)C=C4)C)CO[C@@H]5OCC(O)([C@@H]5O)CO O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(C=3O[C@@H](CC(=O)C3C(O)=C2C)C4=CC=C(O)C=C4)C)CO[C@@H]5OCC(O)([C@@H]5O)CO is Miconioside B. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C[C@H]1O[C@H](O)[C@@H](O[C@H]2O[C@H](C)[C@@H](NC=O)[C@H](O[C@H]3O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H]1NC=O C[C@H]1O[C@H](O)[C@@H](O[C@H]2O[C@H](C)[C@@H](NC=O)[C@H](O[C@H]3O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H]1NC=O is an amino trisaccharide consisting of three N-formyl-alpha-D-perosamine residues linked sequentially (1->3) and (1->2). It is also related to or classified as amino trisaccharide .
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)C1=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)C1=O is A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of UDP-2-acetamido-4-dehydro-2,6-dideoxy-beta-D-glucose; major species at pH 7.3. It is also related to or classified as nucleotide-sugar oxoanion .
The molecule [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OCCN [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OCCN is A beta-D-glucoside that is the 2-aminoethyl glycoside of the monosaccharide beta-D-glucopyranose. It is also related to or classified as beta-D-glucoside  . It is also related to or classified as monosaccharide derivative .
The molecule C=1C=C(C=C2C1C=CC(=O)O2)OCC C=1C=C(C=C2C1C=CC(=O)O2)OCC is A member of the class of coumarins that is umbelliferone in which the hydroxy group at position 7 is replaced by an ethoxy group. Its functional parent is umbelliferone . It is also related to or classified as coumarins , aromatic ether .
The molecule Cc1ccc(cc1C)N=C=O Cc1ccc(cc1C)N=C=O is an isocyanate that consists of phenyl isocyanate bearing two additional methyl substituents at positions 3 and 4. It has the role of hapten . It is also related to or classified as isocyanates .
The molecule C[C@H]1O[C@H](O)[C@@H](O)[C@@H](O[C@H]2O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]2O[C@H]2O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]2O)[C@@H]1NC=O C[C@H]1O[C@H](O)[C@@H](O)[C@@H](O[C@H]2O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]2O[C@H]2O[C@H](C)[C@@H](NC=O)[C@H](O)[C@@H]2O)[C@@H]1NC=O is an amino trisaccharide consisting of three N-formyl-alpha-D-perosamine residues linked sequentially (1->2) and (1->3). It is also related to or classified as amino trisaccharide .
The molecule [C@H]1([C@@H]([C@]2([C@]3([C@@]1(C([C@@]2(CC[C@@H]3C(C)C)C)=C)[H])[H])[H])O)O [C@H]1([C@@H]([C@]2([C@]3([C@@]1(C([C@@]2(CC[C@@H]3C(C)C)C)=C)[H])[H])[H])O)O is (-)-14,15-dihydroxysativene. It has the role of fungal metabolite .  It is also related to or classified as sesquiterpene  . It is also related to or classified as organic hydroxy compound , bridged compound .
The molecule [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)C(O)=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)OCCN [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)C(O)=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)OCCN is A beta-D-glucoside that is the 2-aminoethyl glycoside of a disaccharide consisting of beta-D-glucosyl and beta-D-glucuronosyl residues linked (1->4). It is also related to or classified as beta-D-glucoside  . It is also related to or classified as disaccharide derivative .
The molecule [H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC=C(C)C [H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC=C(C)C is A 3beta-sterol having the structure of desmosterol with an extra double bond at C-7--C-8. It has the role of mouse metabolite . It has the role of human metabolite . Its functional parent is desmosterol . It is also related to or classified as 3beta-sterol  .
The molecule C1[C@@]2([C@@]([C@@]3(C(C[C@@H](OS([O-])(=O)=O)CC3)=C1)C)(CC[C@]4([C@]2(CCC4=O)[H])C)[H])[H] C1[C@@]2([C@@]([C@@]3(C(C[C@@H](OS([O-])(=O)=O)CC3)=C1)C)(CC[C@]4([C@]2(CCC4=O)[H])C)[H])[H] is the conjugate base of 3beta-hydroxyandrost-5-en-17-one 3-sulfate arising from deprotonation of the sulfate OH group; major species at pH 7.3. It has the role of human metabolite . It is also related to or classified as steroid sulfate oxoanion .