anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@@H](O)[C@@H](N)C(O)=O C[C@@H](O)[C@@H](N)C(O)=O is the D-enantiomer of  allothreonine. It occurs as a component of peptido-lipids in certain bacteria. It has the role of bacterial metabolite . It is also related to or classified as D-alpha-amino acid  . It is also related to or classified as allothreonine  .
The molecule [K]OC#N [K]OC#N is potassium cyanate. It has the role of herbicide . It is also related to or classified as cyanate salt , one-carbon compound .
The molecule [H][C@]12[C@@H]3CC[C@@]4(C)[C@H](O)C[C@@H](O)[C@H](C)[C@@]34C[C@@]1(C)CCC2(C)C [H][C@]12[C@@H]3CC[C@@]4(C)[C@H](O)C[C@@H](O)[C@H](C)[C@@]34C[C@@]1(C)CCC2(C)C is A diterpenoid with formula C20H34O2. It is isolated from Penicillium cyclopium and exhibits potent conidiation inducing activity. It has the role of Penicillium metabolite .  It is also related to or classified as diol  . It is also related to or classified as diterpenoid  . It is also related to or classified as secondary alcohol  . It is also related to or classified as carbotetracyclic compound .
The molecule CC1(C)[C@H]2CC[C@]1(CS(O)(=O)=O)C(=O)C2 CC1(C)[C@H]2CC[C@]1(CS(O)(=O)=O)C(=O)C2 is the R enantiomer of camphorsulfonic acid. It is a conjugate acid of (R)-camphorsulfonate . It is also related to or classified as camphorsulfonic acid  .
The molecule [C@@H]1([C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3(CC[C@@]2(C[C@@H](C1)O)[H])[H])(CC[C@]4([H])[C@@H](CCC([O-])=O)C)[H])C)O)[H])C)O [C@@H]1([C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3(CC[C@@]2(C[C@@H](C1)O)[H])[H])(CC[C@]4([H])[C@@H](CCC([O-])=O)C)[H])C)O)[H])C)O is A cholanic acid anion, that is the conjugate base of 1beta-hydroxydeoxycholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as cholanic acid anion .
The molecule c1cccc2ccccccc2cc1 c1cccc2ccccccc2cc1 is octalene. It is also related to or classified as ortho-fused bicyclic hydrocarbon , mancude carbobicyclic parent .
The molecule C([C@H]([C@H]([C@@H](C=O)O)O)O)OP(=O)([O-])[O-] is an organophosphate oxoanion that is the dianion of D-arabinose 5-phosphate arising from deprotonation of both phosphate OH groups; major species at pH 7.3. It has a role as an Escherichia coli metabolite. It is a conjugate base of an aldehydo-D-arabinose 5-phosphate.
The molecule OCCc1c[nH]c2ccccc12 OCCc1c[nH]c2ccccc12 is an indolyl alcohol that is ethanol substituted by a 1H-indol-3-yl group at position 2. It has the role of auxin . It has the role of Saccharomyces cerevisiae metabolite . It has the role of plant metabolite . It is also related to or classified as indolyl alcohol .
The molecule C(C(CP(O)=O)C(O)=O)(C(O)=O)O C(C(CP(O)=O)C(O)=O)(C(O)=O)O is A 2-hydroxydicarboxylic acid that is 2-hydroxy-3-methylbutanedioic acid in which one of the methyl hydrogens is replaced by a phosphino group. It has the role of bacterial metabolite . It is a conjugate acid of phosphinomethylisomalate(3-) . It is also related to or classified as phosphinic acids , 2-hydroxydicarboxylic acid .
The molecule CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C is A carbamate ester that is terbutaline in which both of the phenolic hydroxy groups have been protected as the corresponding N,N-dimethylcarbamates. A long acting beta-adrenoceptor agonist used in the treatment of asthma, it is a prodrug for terbutaline. It has the role of beta-adrenergic agonist . It has the role of bronchodilator agent . It has the role of sympathomimetic agent . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . It has the role of anti-asthmatic drug . It has the role of prodrug . It has the role of tocolytic agent . Its functional parent is terbutaline . It is also related to or classified as carbamate ester , phenylethanolamines .
The molecule [NH3+][C@@H](CSSS)C([O-])=O [NH3+][C@@H](CSSS)C([O-])=O is an L-alpha-amino acid zwitterion that results from the transfer of a proton from the carboxylic acid group to the amino group of 3-trisulfanyl-L-alanine; Major species at pH 7.3. It is also related to or classified as L-alpha-amino acid zwitterion  .
The molecule N1C(N2[C@@]3([C@]([C@@H]1COC(N)=O)(NC(N3)=[NH2+])[H])[C@H](CC2)O)=[NH2+] N1C(N2[C@@]3([C@]([C@@H]1COC(N)=O)(NC(N3)=[NH2+])[H])[C@H](CC2)O)=[NH2+] is an iminium ion resulting from the protonation of the two imine groups of beta-saxitoxinol; major microspecies at pH 7.3.  It is also related to or classified as alkaloid  . It is also related to or classified as pyrrolopurine , guanidines , iminium ion .
The molecule O=C(OC1=C(OC(=O)C[C@@H](O)C)C(=C(OC(=O)C[C@@H](OC(=O)C)C)C(=C1C2=CC=C(O)C=C2)OC(=O)C[C@@H](O)C)C3=CC=C(O)C=C3)C[C@@H](OC(=O)C)C O=C(OC1=C(OC(=O)C[C@@H](O)C)C(=C(OC(=O)C[C@@H](OC(=O)C)C)C(=C1C2=CC=C(O)C=C2)OC(=O)C[C@@H](O)C)C3=CC=C(O)C=C3)C[C@@H](OC(=O)C)C is Curtisian F. Its functional parent is pentacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12 Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12 is Ro 31-8220. It has the role of EC 2.7.11.13 (protein kinase C) inhibitor . Its functional parent is maleimide . It is also related to or classified as indoles , imidothiocarbamic ester , maleimides .
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCC(=O)O is a very long-chain omega-6 fatty acid that is octacosanoic acid having five double bonds located at positions 10, 13, 16, 19 and 22 (the 10Z,13Z,16Z,19Z,22Z-isomer). It is an omega-6 fatty acid and an octacosapentaenoic acid. It is a conjugate acid of a (10Z,13Z,16Z,19Z,22Z)-octacosapentaenoate.
The molecule N1C(N2[C@@]3([C@]([C@@H]1COC(N)=O)(NC(N3)=[NH2+])[H])[C@H]([C@H](C2)O)O)=[NH2+] N1C(N2[C@@]3([C@]([C@@H]1COC(N)=O)(NC(N3)=[NH2+])[H])[C@H]([C@H](C2)O)O)=[NH2+] is an iminium ion resulting from the protonation of the two imine groups of 11-beta-hydroxy-beta-saxitoxinol; major microspecies at pH 7.3.  It is also related to or classified as alkaloid  . It is also related to or classified as pyrrolopurine , guanidines , iminium ion .
The molecule C(\CCCCCCCC(=O)N[C@H](C([O-])=O)CCC(=O)[O-])=C\CCCCCCCC C(\CCCCCCCC(=O)N[C@H](C([O-])=O)CCC(=O)[O-])=C\CCCCCCCC is an N-acyl-L-alpha-amino acid anion resulting from the deprotonation of the carboxy groups of N-oleoyl-L-glutamic acid. The major species at pH 7.3. It is also related to or classified as N-(fatty acyl)-L-alpha-amino acid anion  . It is also related to or classified as N-acyl-L-alpha-amino acid anion  .
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C3=C(OC(=CC3=O)C4=CC=CC=C4)C(OC)=C(OC)C2)CO O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C3=C(OC(=CC3=O)C4=CC=CC=C4)C(OC)=C(OC)C2)CO is 5-Hydroxy-7,8-dimethoxyflavone 5-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule O(C1=CC=C(C=C1)C)C(=O)CC2=CC=CC=C2 O(C1=CC=C(C=C1)C)C(=O)CC2=CC=CC=C2 is p-Tolyl phenylacetate. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule C[C@H](CC/C=C(\\C)/CCC(C)C(=C)C)/C=C/[C@@](C)(CC/C=C(\\C)/CCC=C(C)C)C=C is a triterpenoid obtained by methylation at position 20 of C30-botryococcene with concomitant double bond migration from position 20 to position 21. It has a role as a metabolite. It derives from a C30 botryococcene.
The molecule O(C1=C(OC)C=C(OC)C=C1OC)C(=O)C O(C1=C(OC)C=C(OC)C=C1OC)C(=O)C is 2,4,6-Trimethoxyphenyl acetate. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule COc1ccc(cc1)C(O)=O COc1ccc(cc1)C(O)=O is A methoxybenzoic acid substituted with a methoxy group at position C-4. It has the role of plant metabolite . Its functional parent is benzoic acid . It is a conjugate acid of 4-methoxybenzoate . It is also related to or classified as methoxybenzoic acid .
The molecule CC1(C)[C@@H]2CC[C@@]1(CS(O)(=O)=O)C(=O)C2 CC1(C)[C@@H]2CC[C@@]1(CS(O)(=O)=O)C(=O)C2 is the S enantiomer of camphorsulfonic acid. It is a conjugate acid of (S)-camphorsulfonate . It is also related to or classified as camphorsulfonic acid  .
The molecule C(/C(=C/P([O-])=O)/C([O-])=O)C([O-])=O C(/C(=C/P([O-])=O)/C([O-])=O)C([O-])=O is A dicarboxylic acid anion obtained by deprotonation of the carboxy and phosphino groups of 2-(phosphinomethylidene)butanedioic acid; major species at pH 7.3. It is also related to or classified as dicarboxylic acid anion .
The molecule C(\CCCCCCCC(=O)N[C@H](C([O-])=O)[C@H](CC)C)=C\CCCCCCCC C(\CCCCCCCC(=O)N[C@H](C([O-])=O)[C@H](CC)C)=C\CCCCCCCC is an N-acyl-L-alpha-amino acid anion resulting from the deprotonation of the carboxy group of N-oleoyl-L-isoleucine. The major species at pH 7.3. It is also related to or classified as N-(fatty acyl)-L-isoleucine(1-)  . It is also related to or classified as N-acyl-L-alpha-amino acid anion  .
The molecule CC(C)[C@H](CO)Nc1nc(Nc2cc(N)cc(Cl)c2)c2ncn(C(C)C)c2n1 CC(C)[C@H](CO)Nc1nc(Nc2cc(N)cc(Cl)c2)c2ncn(C(C)C)c2n1 is aminopurvalanol. It has the role of protein kinase inhibitor . It is also related to or classified as purvalanol , monochlorobenzenes .
The molecule CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O is a penicillin compound having a 6beta-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamido] side-chain. It has a role as an antibacterial drug. It is a penicillin and a penicillin allergen. It is a conjugate acid of a flucloxacillin(1-).
The molecule O(C1C(O)C(O)C(OC1OC=2C(O)=C3C(OC(=CC3=O)C4=CC=CC=C4)=CC2OC)C)C5OC(C(O)C(O)C5O)C O(C1C(O)C(O)C(OC1OC=2C(O)=C3C(OC(=CC3=O)C4=CC=CC=C4)=CC2OC)C)C5OC(C(O)C(O)C5O)C is 6-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-5-hydroxy-7-methoxy-2-phenyl-4H-chromen-4-one. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule O1C(CCC=C(C)C)(C=CC2=C1C=3C(N(C2=O)C)=CC=CC3)C O1C(CCC=C(C)C)(C=CC2=C1C=3C(N(C2=O)C)=CC=CC3)C is Zanthosimuline. It is also related to or classified as organic heterotricyclic compound , organonitrogen heterocyclic compound , oxacycle .
The molecule O(C(C[N+](C)(C)C)CC([O-])=O)C(CCCCCCCCC)=O O(C(C[N+](C)(C)C)CC([O-])=O)C(CCCCCCCCC)=O is an O-acylcarnitine compound having decanoyl as the acyl substituent. It has the role of human urinary metabolite .  It is also related to or classified as decanoate ester  . It is also related to or classified as O-acylcarnitine .
The molecule C[N+](C)(C)O C[N+](C)(C)O is A methylated tertiary amine that is  trimethylammonium in which the hydrogen attached to the nitrogen is replaced by a hydroxy group. Its functional parent is trimethylammonium . It is a conjugate acid of trimethylamine N-oxide . It is also related to or classified as methylated tertiary amine  . It is also related to or classified as organic hydroxy compound .
The molecule C(/C(=C/P(O)=O)/C(O)=O)C(O)=O C(/C(=C/P(O)=O)/C(O)=O)C(O)=O is A dicarboxylic acid that is succinic acid substituted at position 2 by a phosphinomethylidene group. Its functional parent is succinic acid . It is a conjugate acid of 2-(phosphinatomethylidene)succinate(3-) . It is also related to or classified as phosphinic acids , dicarboxylic acid .
The molecule C1[C@H](C[C@@]2([C@](C1)([C@@]3([C@@]([C@H]([C@H]2O)O)([C@@]4([H])[C@@](CC3)(C)[C@](CC4)([C@@H](CCC([O-])=O)C)[H])[H])[H])C)[H])O C1[C@H](C[C@@]2([C@](C1)([C@@]3([C@@]([C@H]([C@H]2O)O)([C@@]4([H])[C@@](CC3)(C)[C@](CC4)([C@@H](CCC([O-])=O)C)[H])[H])[H])C)[H])O is A bile acid anion resulting from deprotonation of the carboxy group of beta-muricholic acid (i.e. the conjugate base of beta-muricholic acid). It is the major species at pH 7.3. It is also related to or classified as bile acid anion .
The molecule CC1=C[C@H]([C@@H]([C@H](C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C=C(C(=C4)[C@H]5CC(=O)C6=C(O5)C=C(C=C6)O)O)O is a member of the class of polyphenols consisting of a methylcyclohexene ring attached to a 2,4-dihydroxyphenyl, 2,4-dihydroxybenzoyl and trihydroxyflavanone moieties at positions 5'', 4'' and 3'' respectively (the 2R,3''R,4''R,5''S stereoisomer). Regarded biogenetically as a Diels-Alder adduct, it is isolated from the stem barks of Morus macroura and exhibits antioxidant activity. It has a role as an antioxidant and a plant metabolite. It is a trihydroxyflavanone, a polyphenol, an aromatic ketone and a member of 4'-hydroxyflavanones.
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=C(OC)C(=O)C3=C(O)C2)C4=CC(OC)=C(O)C=C4)CO O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=C(OC)C(=O)C3=C(O)C2)C4=CC(OC)=C(O)C=C4)CO is Quercetin 3,3'-dimethyl ether 7-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [C@](COC(CCCCCCCCCCCCCCCCCC)=O)(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)([H])COP(OCC[N+](C)(C)C)(=O)[O-] [C@](COC(CCCCCCCCCCCCCCCCCC)=O)(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)([H])COP(OCC[N+](C)(C)C)(=O)[O-] is 1-nonadecanoyl-2-linoleoyl-sn-glycero-3-phosphocholine. Its functional parent is nonadecanoate . It is also related to or classified as 1-acyl-2-linoleoyl-sn-glycero-3-phosphocholine betaine  .
The molecule C1(=C(C(=CC(=C1)O)O)C([O-])=O)/C=C/CCCC(=O)CCC[C@@H](O)C C1(=C(C(=CC(=C1)O)O)C([O-])=O)/C=C/CCCC(=O)CCC[C@@H](O)C is major microspecies at pH 7.3. Its functional parent is zearalenone . It is also related to or classified as resorcinols .
The molecule CC[C@@H](O)[C@H](C)C(O)=O CC[C@@H](O)[C@H](C)C(O)=O is A diketide with a pentanoic acid structure substituted at the alpha and beta positions by methyl and hydroxy groups respectively. It is also related to or classified as hydroxy fatty acid , 3-hydroxy monocarboxylic acid , diketide .
The molecule [C@@H]1([C@H](/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)[C@@]1(CC/C=C(/CCC=C(C)C)\C)C)COP(O)(O)=O [C@@H]1([C@H](/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)[C@@]1(CC/C=C(/CCC=C(C)C)\C)C)COP(O)(O)=O is A triterpenyl phosphate that is presqualene in which the hydroxy hydrogen has been replaced by a monophosphate group. Its functional parent is presqualene alcohol . It is a conjugate acid of presqualene monophosphate(2-) . It is also related to or classified as triterpenoid  . It is also related to or classified as triterpenyl phosphate .
The molecule CCC(C)N1C(=O)C(=C(NC1=O)C)Br is a pyrimidone that is pyrimidine-2,4(1H,3H)-dione substituted by a bromo group at position 5, a butan-2-yl group at position 3 and a methyl group at position 6. It is a pyrimidone and an organobromine compound.
The molecule N1C(N2[C@@]3([C@]([C@@H]1COC(N)=O)(NC(N3)=[NH2+])[H])C([C@H](C2)O)(O)O)=[NH2+] N1C(N2[C@@]3([C@]([C@@H]1COC(N)=O)(NC(N3)=[NH2+])[H])C([C@H](C2)O)(O)O)=[NH2+] is an iminium ion resulting from the protonation of the two imine groups of 11-beta-hydroxysaxitoxin; major microspecies at pH 7.3.  It is also related to or classified as alkaloid  . It is also related to or classified as pyrrolopurine , guanidines , iminium ion .
The molecule CN(C)C1=CC2Sc3cc(ccc3N=C2C=C1)N(C)C CN(C)C1=CC2Sc3cc(ccc3N=C2C=C1)N(C)C is A member of the class of phenothiazines that is 4aH-phenothiazine substituted by dimethylamino groups at positions 3 and 7. It is also related to or classified as phenothiazines , tertiary amino compound .
The molecule O=C([O-])[C@@H](N)[C@@H](C)[NH2+]C(CC([O-])=O)C(=O)[O-] O=C([O-])[C@@H](N)[C@@H](C)[NH2+]C(CC([O-])=O)C(=O)[O-] is major microspecies at pH 7.3. Its functional parent is aspartate(2-) . It is also related to or classified as L-alpha-amino acid anion  . It is also related to or classified as C4-dicarboxylate  .
The molecule C1[C@H](C[C@@]2([C@](C1)([C@@]3([C@@]([C@@H]([C@H]2O)O)([C@@]4([H])[C@@](CC3)(C)[C@](CC4)([C@@H](CCC([O-])=O)C)[H])[H])[H])C)[H])O C1[C@H](C[C@@]2([C@](C1)([C@@]3([C@@]([C@@H]([C@H]2O)O)([C@@]4([H])[C@@](CC3)(C)[C@](CC4)([C@@H](CCC([O-])=O)C)[H])[H])[H])C)[H])O is A bile acid anion resulting from the deprotonation of the carboxy group of alpha-muricholic acid. The major species at pH 7.3. It is also related to or classified as bile acid anion .
The molecule O(CCCCCCCC)C(=O)C=1OC=CC1 O(CCCCCCCC)C(=O)C=1OC=CC1 is Octyl 2-furoate. Its functional parent is 2-furoic acid . It is also related to or classified as carboxylic ester  .
The molecule C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)O)OS(=O)(=O)[O-] is a steroid sulfate oxoanion that is the conjugate base of 2-hydroxy-17beta-estradiol 3-sulfate, obtained by deprotonation of the sulfo group. It derives from a 2-hydroxy-17beta-estradiol. It is a conjugate base of a 2-hydroxy-17beta-estradiol 3-sulfate.
The molecule O(P(OC[C@@H](COC(CCCCCCCCCCCCCCCCCC)=O)OC(CCCCCCC/C=C\CCCCCCCC)=O)(=O)[O-])CC[N+](C)(C)C O(P(OC[C@@H](COC(CCCCCCCCCCCCCCCCCC)=O)OC(CCCCCCC/C=C\CCCCCCCC)=O)(=O)[O-])CC[N+](C)(C)C is 1-nonadecanoyl-2-oleoyl-sn-glycero-3-phosphocholine. Its functional parent is nonadecanoate . It is also related to or classified as 1-acyl-2-oleoyl-sn-glycero-3-phosphocholine betaine  .
The molecule OC[C@@H](O)[C@@H](O)C(=O)COP([O-])([O-])=O OC[C@@H](O)[C@@H](O)C(=O)COP([O-])([O-])=O is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of D-ribulose 5-phosphate. Major structute at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule [H][C@]1(CC[C@@H](C)C2=C1C=C(C)C=C2)[C@@H](C)CCC=C(C)C [H][C@]1(CC[C@@H](C)C2=C1C=C(C)C=C2)[C@@H](C)CCC=C(C)C is A diterpene from Leucophyllum frutescens. It has the role of plant metabolite . It is also related to or classified as diterpene  . It is also related to or classified as tetralins , olefinic compound .
The molecule OC[C@H]1OC(O)C(=O)C(=O)[C@@H]1O OC[C@H]1OC(O)C(=O)C(=O)[C@@H]1O is the 2,3-didehydro derivative of D-glucose. It is also related to or classified as secondary alpha-hydroxy ketone  . It is also related to or classified as 2,3-didehydropyranose .
The molecule CC1=CC[C@H]2[C@@H](C1)C2(C)C is a car-3-ene (3,7,7-trimethylbicyclo[4.1.0]hept-3-ene) that has R configuration at position 1 and S configuration at position 6. It is an enantiomer of a (+)-car-3-ene.
The molecule [H+].F[B-](F)(F)F [H+].F[B-](F)(F)F is tetrafluoroboric acid. It is a conjugate acid of tetrafluoroborate(1-) . It is also related to or classified as boron fluoride .
The molecule O[C@@H]([C@H](C(COP(=O)([O-])[O-])=O)O)C O[C@@H]([C@H](C(COP(=O)([O-])[O-])=O)O)C is an organophosphate oxoanion resulting from the removal of two protons from the phosphate group of An organophosphate oxoanion resulting from the removal of two protons from the phosphate group of 5-deoxy-alpha-D-ribose 1-phosphate; major species at pH 7.3. Its functional parent is D-ribulose 1-phosphate(2-) . It is also related to or classified as organophosphate oxoanion .
The molecule C(C1=CC=CC=C1)(O)(C)C C(C1=CC=CC=C1)(O)(C)C is A tertiary alcohol that is isopropanol in which the hydrogen attached to the carbon bearing the hydroxy group has been replaced by a phenyl group. It has the role of Mycoplasma genitalium metabolite . It has the role of human xenobiotic metabolite .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as benzyl alcohols .
The molecule OC1N(C2=CC=C(CC(O)N(C3=CC=C(C1)C=C3)C)C=C2)C OC1N(C2=CC=C(CC(O)N(C3=CC=C(C1)C=C3)C)C=C2)C is 2,9-Dimethyl-2,9-diazatricyclo[10.2.2.25,8]octadeca-5,7,12,14,15,17-hexaene-3,10-diol, 9CI. It is also related to or classified as dialkylarylamine , tertiary amino compound .
The molecule O=C1C2=C(O[C@@](C1)(C(=O)OC)[C@H]3OC(=O)CC3)C(C4=C(O)C5=C(O[C@](C(=O)OC)([C@H](O)CCC(=O)OC)CC5=O)C=C4C)=C(C)C=C2O O=C1C2=C(O[C@@](C1)(C(=O)OC)[C@H]3OC(=O)CC3)C(C4=C(O)C5=C(O[C@](C(=O)OC)([C@H](O)CCC(=O)OC)CC5=O)C=C4C)=C(C)C=C2O is Noduliprevenone. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O is a phytoceramide compound having a hexacosanoyl group attached to the nitrogen atom. It has a role as a Saccharomyces cerevisiae metabolite. It is a N-(very-long-chain fatty acyl)-sphingoid base and a N-acylphytosphingosine.
The molecule S(OC=1C=C(C=2OC=3C(OC4OC(C(O)C(O)C4O)CO)=C(O)C=C(O)C3C(=O)C2)C=CC1O)(O)(=O)=O S(OC=1C=C(C=2OC=3C(OC4OC(C(O)C(O)C4O)CO)=C(O)C=C(O)C3C(=O)C2)C=CC1O)(O)(=O)=O is [5-(5,7-Dihydroxy-4-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-2-yl)-2-hydroxyphenyl]oxidanesulfonic acid. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule O1[C@@H]([C@H]([C@H]([C@H]1O)O)O)C O1[C@@H]([C@H]([C@H]([C@H]1O)O)O)C is A deoxypentose that is alpha-D-ribofuranose in which the hydroxy group at position 5 is substituted by a hydrogen. It is also related to or classified as 5-deoxy-D-ribofuranose  . It is also related to or classified as deoxypentose  .
The molecule COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 is A piperidine compound having a 2-(4-methoxyphenyl)ethyl group at the 1-position and an N-[(4-fluorobenzyl)benzimidazol-2-yl]amino group at the 4-position. It has the role of anticoronaviral agent . It has the role of H1-receptor antagonist . It has the role of anti-allergic agent . It is also related to or classified as benzimidazoles , piperidines .
The molecule CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCC3=CC=C(C=C3)N is a sulfonamide formed by dansylation of 4-aminobenzylamine; used as a fluorescence-labelled model hapten. It is a sulfonamide and a tertiary amino compound.
The molecule CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1OP(O)(O)=O CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1OP(O)(O)=O is the beta-anomer of N-acetyl-D-galactosamine 1-phosphate. It is also related to or classified as N-acetyl-D-galactosamine 1-phosphate  .
The molecule O[C@H]1[C@H](O)C(O)(COP(O)(O)=O)O[C@@H]1COP(O)(O)=O O[C@H]1[C@H](O)C(O)(COP(O)(O)=O)O[C@@H]1COP(O)(O)=O is the furanose form of D-fructose 1,6-bisphosphate. Its functional parent is D-fructofuranose . It is a conjugate acid of D-fructofuranose 1,6-bisphosphate(4-) . It is also related to or classified as D-fructose 1,6-bisphosphate .
The molecule COC1=C(C=C(C=C1)CC2COC3=C(C2=O)C(=C(C(=C3)O)OC)O)O is a homoisoflavonoid that is 2,3-dihydro-4H-chromen-4-onethat is substituted by hydroxy groups at positions 5 and 7, a methoxy group at position 6, and a 3-hydroxy-4-methoxybenzyl group at position 3. It has been isolated from various plants, including the bulb of Cremastra appendiculata. It has a role as a plant metabolite and an angiogenesis modulating agent. It is a homoisoflavonoid, an aromatic ether and a polyphenol.
The molecule [C@H]1([C@@]2([C@]([C@@H](CC1)C(C)=C)(CC=C(CCC=CCC2)C)[H])[H])C [C@H]1([C@@]2([C@]([C@@H](CC1)C(C)=C)(CC=C(CCC=CCC2)C)[H])[H])C is diterpene produced by Amycolatopis arida. It is also related to or classified as organic molecular entity .
The molecule C[C@H](O)[C@H](O)[C@@H](O)C(=O)CO C[C@H](O)[C@H](O)[C@@H](O)C(=O)CO is A deoxyketohexose consisting of L-fructose lacking the 6-hydroxy group. It has the role of Escherichia coli metabolite . It is also related to or classified as deoxyketohexose  .
The molecule [NH3+][C@@H](C[SeH])C([O-])=O [NH3+][C@@H](C[SeH])C([O-])=O is zwitterionic form of L-selenocysteine having a anionic carboxy group and a cationic amino group; major species at pH 7.3. It is also related to or classified as amino-acid zwitterion .
The molecule OCC(O)C1OC(=O)C(=O)C1=O OCC(O)C1OC(=O)C(=O)C1=O is dehydroascorbic acid. It has the role of mouse metabolite . Its functional parent is ascorbic acid . It is a conjugate acid of dehydroascorbide(1-) . It is also related to or classified as tetrahydrofuranone .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCCCCCCCCCC(=O)O)O)O is an omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 14-hydroxytetradecanoic acid (14-hydroxymyristic acid) with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is a monocarboxylic acid and an omega-hydroxy fatty acid ascaroside. It derives from a 14-hydroxymyristic acid. It is a conjugate acid of an oscr#24(1-).