anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC is A straight-chain alkane with 30 carbon atoms. It has the role of animal metabolite . It is also related to or classified as long-chain alkane  .
The molecule C(\CCCCCCCC(=O)NCC([O-])=O)=C\CCCCCCCC C(\CCCCCCCC(=O)NCC([O-])=O)=C\CCCCCCCC is an N-acylglycinate resulting from the deprotonation of the carboxy group of N-oleoylglycine. It is believed to be an intermediate in oleamide biosynthesis. 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 CC[C@H](C)[C@@H](N)C(O)=O CC[C@H](C)[C@@H](N)C(O)=O is D-alloisoleucine. It is also related to or classified as D-alpha-amino acid  . It is also related to or classified as alloisoleucine  .
The molecule CCCCCCCCCC(CCCCCCCCCCCC(O)=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O CCCCCCCCCC(CCCCCCCCCCCC(O)=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O is A beta-D-glucoside consisting of docosanoic (behenic) acid having a beta-D-glucosyloxy group at position 13. Its functional parent is docosanoic acid . It is a conjugate acid of 13-(beta-D-glucosyloxy)docosanoate . It is also related to or classified as beta-D-glucoside  .
The molecule [Na+].[Na+].[H][C@@]12C[C@H](C)[C@](O)(C(=O)COP([O-])([O-])=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C [Na+].[Na+].[H][C@@]12C[C@H](C)[C@](O)(C(=O)COP([O-])([O-])=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C is an organic sodium salt that is the disodium salt of betamethasone phosphate. It is also related to or classified as tertiary alpha-hydroxy ketone  . It is also related to or classified as organic sodium salt .
The molecule CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C is A cholestanoid that is (5alpha)-cholestane substituted by a beta-hydroxy group at position 3. It is also related to or classified as 3beta-hydroxy steroid  . It is also related to or classified as cholestanoid .
The molecule [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(OC(=O)CCC)C(=O)CO [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(OC(=O)CCC)C(=O)CO is cortisol esterified with butyric acid at the 17-hydroxy group. It has the role of dermatologic drug . It has the role of drug allergen . It is also related to or classified as primary alpha-hydroxy ketone  .  It is also related to or classified as butyrate ester  . It is also related to or classified as cortisol ester .
The molecule C(CCCCCCC[C@@H](/C=C/C=C\C=C\[C@H](CC)OO)OO)([O-])=O C(CCCCCCC[C@@H](/C=C/C=C\C=C\[C@H](CC)OO)OO)([O-])=O is A hydroperoxyoctadecatrienoate that is the conjugate base of (9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoic acid, obtained by deprotonation of the carboxy group. Major microspecies at pH 7.3. It is also related to or classified as hydroperoxyoctadecatrienoate .
The molecule O=C1N[C@H](C(=O)N2[C@]1(OO)CCC2)CC(C)C O=C1N[C@H](C(=O)N2[C@]1(OO)CCC2)CC(C)C is Actinozine A. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C[C@@H](C(O)=O)c1ccccc1 C[C@@H](C(O)=O)c1ccccc1 is the (R)-enantiomer of hydratropic acid. It is also related to or classified as hydratropic acid  .
The molecule OC(=O)C(=O)COP(O)(O)=O OC(=O)C(=O)COP(O)(O)=O is A carboxyalkyl phosphate that is pyruvic acid substituted at position 3 by a 3-phosphonooxy group. Its functional parent is pyruvic acid . It is a conjugate acid of 3-phosphonatooxypyruvate(3-) . It is also related to or classified as carboxyalkyl phosphate .
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)CCCC(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)CCCC(C)C is cholesta-5,7-dien-3beta-ol. It has the role of mouse metabolite . It has the role of human metabolite . It is also related to or classified as Delta(5),Delta(7)-sterol  . It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid  . It is also related to or classified as 3beta-sterol  . It is also related to or classified as cholestanoid .
The molecule COn1cc(CC(S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=NOS(O)(=O)=O)c2ccccc12 COn1cc(CC(S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=NOS(O)(=O)=O)c2ccccc12 is an indolyl carbohydrate that is glucobrassicin methoxy substituted at position 1 of the indole moiety. Its functional parent is glucobrassicin . It is a conjugate acid of neoglucobrassicin(1-) . It is also related to or classified as indolyl carbohydrate , indolylmethylglucosinolic acid .
The molecule C(CCCCCCC[C@@H](/C=C/C=C\C=C\[C@H](CC)OO)OO)(O)=O C(CCCCCCC[C@@H](/C=C/C=C\C=C\[C@H](CC)OO)OO)(O)=O is A hydroperoxyoctadecatrienoic acid that is (10E,12Z,14E)-octadecatrienoic acid carrying two hydroperoxy substituents at positions 9 and 16 (the 9S,16S-diastereomer). It is a conjugate acid of (9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoate . It is also related to or classified as hydroperoxyoctadecatrienoic acid .
The molecule OP(O)(=O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F OP(O)(=O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F is Fosfluconazole. It has the role of prodrug . Its functional parent is fluconazole . It is also related to or classified as conazole antifungal drug , triazole antifungal drug , triazoles .
The molecule O=C(OC)/C=C/C(/C(=O)C)=C/CCC O=C(OC)/C=C/C(/C(=O)C)=C/CCC is methyl xylariate C. It is also related to or classified as fatty acid ester  .
The molecule [H][C@@]1(CC[C@@]2([H])[C@]3([H])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])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC=C(C)C is A cholestanoid that is cholesta-5,24-diene substituted by a beta-hydroxy group at position 3. It is an intermediate metabolite obtained during the synthesis of cholesterol. It has the role of mouse metabolite . It has the role of human metabolite .  It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid  . It is also related to or classified as 3beta-sterol  . It is also related to or classified as C27-steroid , cholestanoid .
The molecule C(CCCCCCC/C=C\[C@H](/C=C\C/C=C\CC)OO)(=O)[O-] C(CCCCCCC/C=C\[C@H](/C=C\C/C=C\CC)OO)(=O)[O-] is the monocarboxylic acid anion obtained by removal of a proton from the carboxylic acid group of (9Z,11R,12Z,15Z)-11-hydroperoxyoctadecatrienoic acid. Major microspecies at pH 7.3. Its functional parent is alpha-linolenate . It is also related to or classified as hydroperoxyoctadecatrienoate .
The molecule C(O)([C@@H](N)CCl)=O C(O)([C@@H](N)CCl)=O is A 3-chloroalanine that has R configutation at the chiral centre.  It is also related to or classified as 3-chloroalanine  . It is also related to or classified as L-alanine derivative .
The molecule O=[N+](O)[O-].O[C@H]1C2=C([C@]3(CC[C@@]4([C@@H]([C@]3(C1)C)CN=C(N4)N)C)C)CC[C@@H]5[C@@]2(CCCC5(C)C)C O=[N+](O)[O-].O[C@H]1C2=C([C@]3(CC[C@@]4([C@@H]([C@]3(C1)C)CN=C(N4)N)C)C)CC[C@@H]5[C@@]2(CCCC5(C)C)C is Cybastacine A. It is also related to or classified as organic heteromonocyclic compound , organonitrogen heterocyclic compound .
The molecule N[C@@H](Cc1ccc(O)cc1)C([O-])=O N[C@@H](Cc1ccc(O)cc1)C([O-])=O is an optically active form of tyrosinate having L-configuration. It has the role of fundamental metabolite . It is a conjugate acid of L-tyrosinate(2-) . It is also related to or classified as tyrosinate(1-)  . It is also related to or classified as L-alpha-amino acid anion  .
The molecule [NH3+]CCCC[NH2+]CCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H]([NH3+])C([O-])=O [NH3+]CCCC[NH2+]CCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H]([NH3+])C([O-])=O is dication of glutathionylspermidine arising from deprotonation of the terminal carboxy group and protonation of the primary and secondary amino groups; major species at pH 7.3. It is a conjugate acid of glutathionylspermidine . It is also related to or classified as ammonium ion derivative , peptide cation .
The molecule Nc1cccc(c1)C(O)=O Nc1cccc(c1)C(O)=O is an aminobenzoic acid carrying an amino group at position 3. Its functional parent is benzoic acid . It is a conjugate acid of 3-aminobenzoate . It is also related to or classified as aminobenzoic acid .
The molecule O=C(O)/C=C/C=C/[C@@H]([C@@H]1O[C@]2(O[C@@H]([C@@H](CC)[C@@H](C2)O)C)[C@@H](C)[C@@H]([C@@H]1C)O)C O=C(O)/C=C/C=C/[C@@H]([C@@H]1O[C@]2(O[C@@H]([C@@H](CC)[C@@H](C2)O)C)[C@@H](C)[C@@H]([C@@H]1C)O)C is Pteridic acid F. It is also related to or classified as medium-chain fatty acid  .
The molecule [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])C(C)=O is A C21-steroid hormone in which a pregnane skeleton carries oxo substituents at positions 3 and 20 and is unsaturated at C(4)-C(5). As a hormone, it is involved in the female menstrual cycle, pregnancy and embryogenesis of humans and other species. It has the role of contraceptive drug . It has the role of progestin . It has the role of progesterone receptor agonist . It has the role of mouse metabolite . It has the role of human metabolite .  It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as 20-oxo steroid , C21-steroid hormone .
The molecule [NH3+][C@@H](Cc1ccc(O)cc1)C(O)=O [NH3+][C@@H](Cc1ccc(O)cc1)C(O)=O is an optically active form of tyrosinium having L-configuration. It has the role of fundamental metabolite . It is a conjugate acid of L-tyrosine . It is a conjugate acid of L-tyrosine zwitterion . It is also related to or classified as tyrosinium  .
The molecule C(CCCCCCC/C=C\[C@H](/C=C\C/C=C\CC)OO)(=O)O C(CCCCCCC/C=C\[C@H](/C=C\C/C=C\CC)OO)(=O)O is A hydroperoxyoctadecatrienoic acid, obtained by the formal substitution of a hydrogen at position 11 of (9Z,12Z,15Z)-octadecatrienoic acid by a hydroperoxy group (the 11R-stereoisomer). Its functional parent is alpha-linolenic acid . It is a conjugate acid of (9Z,11R,12Z,15Z)-11-hydroperoxyoctadecatrienoate . It is also related to or classified as hydroperoxyoctadecatrienoic acid .
The molecule O=C1OC(=C(C)C2=C1[C@@H](O)[C@@H]3[C@H]([C@]4(O)CC(=O)C(C([C@]4([C@H]([C@]3(O2)C)O)O)=O)(C)C)C)C O=C1OC(=C(C)C2=C1[C@@H](O)[C@@H]3[C@H]([C@]4(O)CC(=O)C(C([C@]4([C@H]([C@]3(O2)C)O)O)=O)(C)C)C)C is 12-epi-aspertetranone D. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C12CC(C1(C)C)CC=C2C(O)=O C12CC(C1(C)C)CC=C2C(O)=O is A monoterpenoid that is 6,6-dimethylbicyclo[3.1.1]hept-2-ene substituted by a carboxy group at position 2. It has the role of plant metabolite . It has the role of human xenobiotic metabolite . It has the role of human urinary metabolite . Its functional parent is alpha-pinene . It is also related to or classified as monoterpenoid , bridged compound , alpha,beta-unsaturated monocarboxylic acid .
The molecule O=C(O)C(=C)[C@@H](C(=O)O)CCCCCC/C=C/CCCCCCCC O=C(O)C(=C)[C@@H](C(=O)O)CCCCCC/C=C/CCCCCCCC is Ceriporic acid D. It is also related to or classified as long-chain fatty acid  .
The molecule OC(COP(O)(O)=O)C(O)C=N OC(COP(O)(O)=O)C(O)C=N is 1-deoxy-1-iminoerythritol 4-phosphate. It is also related to or classified as alditol 4-phosphate , tetritol phosphate .
The molecule O=C(OC)/C=C/C=C/[C@@H]([C@@H]1O[C@]2(O[C@@H]([C@@H](CC)[C@@H](C2)O)C)[C@@H](C)[C@@H]([C@@H]1C)O)C O=C(OC)/C=C/C=C/[C@@H]([C@@H]1O[C@]2(O[C@@H]([C@@H](CC)[C@@H](C2)O)C)[C@@H](C)[C@@H]([C@@H]1C)O)C is Pteridic acid G. It is also related to or classified as fatty acid ester  .
The molecule C1CCCC2C1(C3C(CC2)C4C(CC3)(C(CC4)CC)C)C C1CCCC2C1(C3C(CC2)C4C(CC3)(C(CC4)CC)C)C is A steroid that has a structure based on a 21-carbon (pregnane) skeleton. Note that individual examples may have ring substituents at other positions and/or contain double bonds, aromatic A-rings, expanded/contracted rings etc., so the formula and mass may vary from that given for the generic structure. It is also related to or classified as steroid  .
The molecule C(/C=C\CCCCCCCC(=O)[O-])=C\[C@@H](C/C=C\CC)OO C(/C=C\CCCCCCCC(=O)[O-])=C\[C@@H](C/C=C\CC)OO is A hydroperoxyoctadecatrienoate that is the conjugate base of (9Z,11E,13R,15Z)-13-hydroperoxyoctadecatrienoic acid, obtained by deprotonation of the carboxy group. Major microspecies at pH 7.3. It is also related to or classified as hydroperoxyoctadecatrienoate .
The molecule Cc1cc(C)c(C)c(C)c1C Cc1cc(C)c(C)c(C)c1C is A methylbenzene that is benzene in which five of the hydrogens are replaced by methyl groups. It is also related to or classified as methylbenzene .
The molecule O=C(O)C1=C(O)C=CC=C1CCCCCCCCCCCCCCCC(OC(=O)[C@@H](OC(=O)C)[C@@H](O)[C@H](O)C(O[C@@H]2OC([C@@H](O)C([C@H]2OC(=O)C)O)CO)COC(=O)CC(=O)O)C O=C(O)C1=C(O)C=CC=C1CCCCCCCCCCCCCCCC(OC(=O)[C@@H](OC(=O)C)[C@@H](O)[C@H](O)C(O[C@@H]2OC([C@@H](O)C([C@H]2OC(=O)C)O)CO)COC(=O)CC(=O)O)C is F-16438 G. Its functional parent is pentacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule CSCCC([NH3+])C([O-])=O CSCCC([NH3+])C([O-])=O is an amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of methionine; major species at pH 7.3. It is also related to or classified as amino-acid zwitterion .
The molecule OC[C@H](C(O)=O)c1ccccc1 OC[C@H](C(O)=O)c1ccccc1 is (R)-tropic acid. Its functional parent is (S)-hydratropic acid . It is also related to or classified as tropic acid  .
The molecule C(/C=C\CCCCCCCC(=O)O)=C\[C@@H](C/C=C\CC)OO C(/C=C\CCCCCCCC(=O)O)=C\[C@@H](C/C=C\CC)OO is A hydroperoxyoctadecatrienoic acid, obtained by the formal substitution of a hydrogen at position 13 of (9Z,11E,15Z)-octadeca-9,11,15-trienoic acid by a hydroperoxy group (the 13R-stereoisomer). Its functional parent is (9Z,11E,15Z)-octadeca-9,11,15-trienoic acid . It is a conjugate acid of (9Z,11E,13R,15Z)-13-hydroperoxyoctadecatrienoate . It is also related to or classified as hydroperoxyoctadecatrienoic acid .
The molecule O=C1C2=C(OC(C1)(O)C)C3=C(OC)C=C(OC)C=C3C(=C2O)C4=C(OC)C5=C6OC(O)(CC(C6=C(O)C=C5C=C4OC)=O)C O=C1C2=C(OC(C1)(O)C)C3=C(OC)C=C(OC)C=C3C(=C2O)C4=C(OC)C5=C6OC(O)(CC(C6=C(O)C=C5C=C4OC)=O)C is Nigerasperone B. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule OC(=O)C(=O)CP(O)(O)=O OC(=O)C(=O)CP(O)(O)=O is A 2-oxo monocarboxylic acid that is pyruvic acid substituted at position 3 by a phospho group. Its functional parent is pyruvic acid . Its functional parent is phosphonic acid . It is a conjugate acid of 3-phosphonatopyruvate(2-) . It is also related to or classified as 2-oxo monocarboxylic acid  .
The molecule CSCCCCCCCCC(N(O)O)C(O)=O CSCCCCCCCCC(N(O)O)C(O)=O is an N,N-dihydroxy-alpha-amino acid having a 9-thiadecyl substituent at the 2-position. Its functional parent is hexahomomethionine . It is a conjugate acid of N,N-dihydroxyhexahomomethioninate . It is also related to or classified as N,N-dihydroxy-alpha-amino acid .
The molecule Cc1c2ccccc2c(C)c2c1ccc1ccccc21 Cc1c2ccccc2c(C)c2c1ccc1ccccc21 is A tetraphene having methyl substituents at the 7- and 12-positions. It is a potent carcinogen and is present in tobacco smoke. It has the role of carcinogenic agent . It is also related to or classified as ortho-fused polycyclic arene , tetraphenes .
The molecule C(CCCCCCC\C=C/C=C/[C@@H](CCCCC)OO)(=O)[O-] C(CCCCCCC\C=C/C=C/[C@@H](CCCCC)OO)(=O)[O-] is A 13-HPODE(1-) that is the conjugate base of 13(R)-HPODE, obtained by deprotonation of the carboxylic acid function. Major microspecies at pH 7.3. It is also related to or classified as 13-HPODE(1-)  .
The molecule O=C1O[C@@H](C2=C(O)[C@@H]3[C@@]45C=6C(C(=O)OC4)=C(O)C=C(C6C([C@H]([C@@]3(C=7C2=C1C(O)=CC7C)OC)[C@@H]5OC(=O)C)=O)C)CC(=O)OC O=C1O[C@@H](C2=C(O)[C@@H]3[C@@]45C=6C(C(=O)OC4)=C(O)C=C(C6C([C@H]([C@@]3(C=7C2=C1C(O)=CC7C)OC)[C@@H]5OC(=O)C)=O)C)CC(=O)OC is Verruculosin B. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule OCC(=O)[C@@H](O)[C@@H](O)[C@H](O)C(O)=O OCC(=O)[C@@H](O)[C@@H](O)[C@H](O)C(O)=O is D-tagaturonic acid. It is a conjugate acid of D-tagaturonate . It is also related to or classified as tagaturonic acid .
The molecule C[C@H]1OC(OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@@H](O)C1=O C[C@H]1OC(OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@@H](O)C1=O is dianion of dTDP-4-dehydro-6-deoxy-D-galactose arising from deprotonation of the diphosphate OH groups; major species at pH 7.3. It is also related to or classified as nucleotide-sugar oxoanion .
The molecule C[C@H]1\C=C\C=C(C)/C(=O)NC2=CC(=O)c3c(C2=O)c(O)c(C)c(O)c3C(=O)\C(C)=C\[C@H](CO)[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H]1O C[C@H]1\C=C\C=C(C)/C(=O)NC2=CC(=O)c3c(C2=O)c(O)c(C)c(O)c3C(=O)\C(C)=C\[C@H](CO)[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H]1O is Rifamycin W. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H][C@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)CCC[C@@]3([H])[C@]1([H])CC2 [H][C@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)CCC[C@@]3([H])[C@]1([H])CC2 is the 5alpha-stereoisomer of androstane. It has the role of human metabolite . It is also related to or classified as androstane  .
The molecule ClCCSCCCl ClCCSCCCl is an ethyl sulfide that is diethyl sulfide in which a hydrogen from each of the terminal methyl groups is replaced by a chlorine. It is a powerful vesicant regulated under the Chemical Weapons Convention. It has the role of alkylating agent . It has the role of carcinogenic agent . It has the role of vesicant .  It is also related to or classified as organochlorine compound  . It is also related to or classified as ethyl sulfide .
The molecule [NH3+][C@@H](Cc1ccc(O)cc1)C([O-])=O [NH3+][C@@H](Cc1ccc(O)cc1)C([O-])=O is an amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of L-tyrosine; major species at pH 7.3. It is a conjugate acid of L-tyrosinate(1-) . It is also related to or classified as amino-acid zwitterion .
The molecule O1[C@@H]([C@H]([C@H]([C@@H]([C@@]1(CO)O)O)O)O)COP([O-])(=O)[O-] O1[C@@H]([C@H]([C@H]([C@@H]([C@@]1(CO)O)O)O)O)COP([O-])(=O)[O-] is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of alpha-D-sedoheptulopyranose 7-phosphate; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=C(C=C3)F C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=C(C=C3)F is 1-[[(3S,9R,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-(4-fluorophenyl)-1-methylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O=C1O[C@H]2C3=C(O[C@@](C2)(O)C)[C@@H]4[C@@]56C=7C(C(=O)OC5)=C(O)C=C(C7C([C@H]([C@@]4(C=8C3=C1C(O)=CC8C)OC)[C@@H]6OC(=O)C)=O)C O=C1O[C@H]2C3=C(O[C@@](C2)(O)C)[C@@H]4[C@@]56C=7C(C(=O)OC5)=C(O)C=C(C7C([C@H]([C@@]4(C=8C3=C1C(O)=CC8C)OC)[C@@H]6OC(=O)C)=O)C is Verruculosin A. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C[C@@H]1O[C@@H](O[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[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)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O is A disaccharide consisting of alpha-L-rhamnose and beta-D-glucose linked via a 1->2 glycosidic bond. It has the role of metabolite . It is also related to or classified as glycosylglucose .
The molecule Oc1ccc(C([O-])=O)c(NC(=O)c2ccccc2)c1 Oc1ccc(C([O-])=O)c(NC(=O)c2ccccc2)c1 is conjugate base of N-benzoyl-4-hydroxyanthranilic acid; major species at pH 7.3. It is also related to or classified as hydroxybenzoate .
The molecule CSCCCCCCCC(N(O)O)C(O)=O CSCCCCCCCC(N(O)O)C(O)=O is an N,N-dihydroxy-alpha-amino acid having a 8-thianonyl substituent at the 2-position. Its functional parent is pentahomomethionine . It is a conjugate acid of N,N-dihydroxypentahomomethioninate . It is also related to or classified as N,N-dihydroxy-alpha-amino acid .
The molecule O1[C@@H]([C@H]([C@H]([C@@H]([C@@]1(CO)O)O)O)O)COP(O)(=O)O O1[C@@H]([C@H]([C@H]([C@@H]([C@@]1(CO)O)O)O)O)COP(O)(=O)O is A ketoheptose phosphate consisting of alpha-D-sedoheptulopyranose  having a phosphate group at the 7-position. Its functional parent is sedoheptulose . It is a conjugate acid of alpha-D-sedoheptulopyranose 7-phosphate(2-) . It is also related to or classified as ketoheptose phosphate , sedoheptulose derivative .
The molecule O=C1C2=C(O)C3=C(O)C=C(O)C(=C3C=C2O[C@H]([C@H]1C)C)C4=C(O)C=C(O)C=5C4=CC=6OC(C)CC(C6C5O)=O O=C1C2=C(O)C3=C(O)C=C(O)C(=C3C=C2O[C@H]([C@H]1C)C)C4=C(O)C=C(O)C=5C4=CC=6OC(C)CC(C6C5O)=O is Ustilaginoidin E1. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule [H]C(C)=O [H]C(C)=O is the aldehyde formed from acetic acid by reduction of the carboxy group. It is the most abundant carcinogen in tobacco smoke. It has the role of electron acceptor . It has the role of mutagen . It has the role of carcinogenic agent . It has the role of teratogenic agent . It has the role of oxidising agent . It has the role of mouse metabolite . It has the role of Saccharomyces cerevisiae metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . It has the role of EC 3.5.1.4 (amidase) inhibitor . It is also related to or classified as aldehyde  .
The molecule ClP(Cl)Cl ClP(Cl)Cl is A phosphorus halide with formula Cl3P. It is also related to or classified as phosphorus halide .
The molecule [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(C)=O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)C)OC([C@@H](C(=O)O)N)C [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(C)=O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)C)OC([C@@H](C(=O)O)N)C is an O-glycosyl-L-threonine having N-acetyl-beta-D-glucosaminyl-(1->6)-[beta-D-galactosyl-(1->3)]-N-acetyl-alpha-D-galactosamine as the glycosyl component. It is also related to or classified as O-glycosyl-L-threonine , trisaccharide derivative .
The molecule O=C1NC=C(C2=CC=C(O)C=C2)C3=C1C(=O)[C@H]4[C@H](C=CC)[C@H]5C[C@@H](C)CC[C@@H]5[C@@]([C@@H]4O3)(O)C O=C1NC=C(C2=CC=C(O)C=C2)C3=C1C(=O)[C@H]4[C@H](C=CC)[C@H]5C[C@@H](C)CC[C@@H]5[C@@]([C@@H]4O3)(O)C is Campyridone D. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule NC1=NC2=C(N=C(C=N2)C(O)C(O)CO)C(=O)N1 NC1=NC2=C(N=C(C=N2)C(O)C(O)CO)C(=O)N1 is neopterin. It is also related to or classified as neopterins , triol , primary amino compound .
The molecule CSCCCCCCC(N(O)O)C(O)=O CSCCCCCCC(N(O)O)C(O)=O is an N,N-dihydroxy-alpha-amino acid having a 7-thiaoctyl substituent at the 2-position. Its functional parent is tetrahomomethionine . It is a conjugate acid of N,N-dihydroxytetrahomomethioninate . It is also related to or classified as N,N-dihydroxy-alpha-amino acid .
The molecule CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)COC(=O)CC CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)COC(=O)CC is Hydrocortisone butyrate propionate.  It is also related to or classified as butyrate ester  . It is also related to or classified as corticosteroid hormone .
The molecule C(CCCCCCCCCCCCCCCCO)CCCCCCCCCC C(CCCCCCCCCCCCCCCCO)CCCCCCCCCC is A very long-chain primary fatty alcohol that is heptacosane in which one of the terminal methyl hydrogens has been replaced by a hydroxy group. It has the role of marine metabolite . It has the role of plant metabolite . It has the role of algal metabolite . It is also related to or classified as very long-chain primary fatty alcohol  .
The molecule O=C1C(OC)=C(OC2=C1C(O)=C(C)C(=C2OC)OC)C3=CC=C(O)C=C3 O=C1C(OC)=C(OC2=C1C(O)=C(C)C(=C2OC)OC)C3=CC=C(O)C=C3 is 5,4'-dihydroxy-3,7,8-trimethoxy-6-C-methylflavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .