anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC[N+](C)(C)Cc1ccccc1Br CC[N+](C)(C)Cc1ccccc1Br is A quaternary ammonium cation having 2-bromobenzyl, ethyl and two methyl groups attached to the nitrogen. It blocks noradrenaline release from the peripheral sympathetic nervous system, and is used in emergency medicine, cardiology, and other specialties for the acute management of ventricular tachycardia and ventricular fibrillation. It has the role of antihypertensive agent . It has the role of adrenergic antagonist . It has the role of anti-arrhythmia drug . It is also related to or classified as quaternary ammonium ion  .
The molecule [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CC[C@H](O)C(C)CO [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CC[C@H](O)C(C)CO is 5beta-Cholestane-3alpha,7alpha,24,26-tetrol with S-configuration at C-24. It is also related to or classified as 5beta-cholestane-3alpha,7alpha,24,26-tetrol  .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H](C(=O)O)N)CO)O)O is an O-glycosyl-L-serine having N-acetyl-beta-D-glucosaminyl as the glycosyl component. It is a non-proteinogenic L-alpha-amino acid, an O-glycosyl-L-serine and a monosaccharide derivative.
The molecule CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC is A phytoceramide in which the ceramide N-acyl group is specified as eicosanoyl. It is also related to or classified as N-acylphytosphingosine  .
The molecule OC(=O)C(=O)CC1=CC=C(O)C=C1 OC(=O)C(=O)CC1=CC=C(O)C=C1 is A 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a 4-hydroxyphenyl group. It has the role of human metabolite . Its functional parent is pyruvic acid . It is a conjugate acid of 3-(4-hydroxyphenyl)pyruvate . It is also related to or classified as phenols  . It is also related to or classified as 2-oxo monocarboxylic acid  .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@@H]2[C@H](O[C@H]([C@H]([C@H]2O)O)O)CO)CO)O)O is an amino disaccharide consisting of 2-acetamido-2-deoxy-alpha-D-glucopyranose and beta-D-mannopyranose residues joined in sequence by a (1->4) glycosidic bond. It is a member of acetamides, an amino disaccharide and a glycosylmannose derivative. It derives from a N-acetyl-alpha-D-glucosamine and a beta-D-mannose.
The molecule CC(=O)O[C@H]1C[C@@H]2[C@H](CC3=C([C@H]2C(=O)OC)C=CO3)[C@@]4([C@@]1(C(CCC4=O)(C)C)O)C is a tetracyclic diterpenoid isolated from the seed kernels of Caesalpinia crista that has been found to exhibit antimalarial activity. It has a role as a metabolite and an antimalarial. It is an acetate ester, a cyclic ether, a tertiary alcohol, a tetracyclic diterpenoid and a methyl ester.
The molecule O1[C@@H]([C@H](O)[C@@H](O)[C@H]1O)[C@H](O)CO O1[C@@H]([C@H](O)[C@@H](O)[C@H]1O)[C@H](O)CO is A D-glucofuranose that has alpha configuration at the anomeric centre. It is also related to or classified as D-glucofuranose  .
The molecule [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CC[C@H](O)C(C)C [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CC[C@H](O)C(C)C is 5beta-Cholestane-3alpha,7alpha,24-triol with S-configuration at C-24. It is also related to or classified as 5beta-cholestane-3alpha,7alpha,24-triol  .
The molecule CC(C)CCCCCCCCCC(=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-) arising from deprotonation of the phosphate and diphosphate functions of isotridecanoyl-CoA. It is a saturated fatty acyl-CoA(4-) and a medium-chain fatty acyl-CoA(4-). It is a conjugate base of an isotridecanoyl-CoA.
The molecule CCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC is A dihydroceramide in which the ceramide N-acyl group is specified as 2-hydroxyeicosanoyl. It is also related to or classified as N-(2-hydroxyacyl)sphinganine  .
The molecule CNCCc1c[nH]c2ccc(OC)cc12 CNCCc1c[nH]c2ccc(OC)cc12 is A tryptamine derivative hahing a methoxy group at position 5 of the indole portion and a methyl substituent on the side-chain nitrogen. Its functional parent is serotonin . It is also related to or classified as tryptamines .
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCCCC(=O)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 unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (16Z,19Z,22Z,25Z,28Z,31Z)-3-oxotetratriacontahexaenoic acid. It is a 3-oxo-fatty acyl-CoA, an unsaturated fatty acyl-CoA and an ultra-long-chain fatty acyl-CoA. It is a conjugate acid of a (16Z,19Z,22Z,25Z,28Z,31Z)-3-oxotetratriacontahexaenoyl-CoA(4-).
The molecule C12C(C3C1N(C(N=C3N)=O)[C@@H]4O[C@@H]([C@H](C4)O)COP(=O)(O)O)C(=NC(N2[C@@H]5O[C@@H]([C@H](C5)O)COP(=O)(O)O)=O)N C12C(C3C1N(C(N=C3N)=O)[C@@H]4O[C@@H]([C@H](C4)O)COP(=O)(O)O)C(=NC(N2[C@@H]5O[C@@H]([C@H](C5)O)COP(=O)(O)O)=O)N is A cyclobutadipyrimidine bis(deoxyribonucleotide) obtained by formal cyclodimerisation of 2'-deoxycytidine 5'-monophosphate. It has the role of Mycoplasma genitalium metabolite . It is also related to or classified as cyclobutadipyrimidine bis(deoxyribonucleotide) .
The molecule [H][C@]12C[C@@H](O)[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CC[C@H](O)C(C)C)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CCC(=O)C2 [H][C@]12C[C@@H](O)[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CC[C@H](O)C(C)C)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CCC(=O)C2 is 7alpha,12alpha,24-Trihydroxy-5beta-cholestan-3-one with S-configuration at C-24. It is also related to or classified as 7alpha,12alpha,24-trihydroxy-5beta-cholestan-3-one  .
The molecule CC(=CCC1=C(C=CC2=C1OC(CC2=O)C3=C(C=C(C=C3)O)O)O)C is a trihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 7, 2' and 4' and a prenyl group at position 8. It has a role as a plant metabolite. It is a trihydroxyflavanone and a member of 4'-hydroxyflavanones.
The molecule CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC is A dihydroceramide in which the ceramide N-acyl group is specified as eicosanoyl. It has the role of mouse metabolite . Its functional parent is icosanoic acid . It is also related to or classified as N-acylsphinganine  .
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@H]([C@H](O[C@@H]([C@@H]2O)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@H]3O)CO)O[C@H]4[C@@H](O[C@H]([C@@H]([C@@H]4O)O)O)C)NC(=O)C)CO)O)O)O)O is a linear amino tetrasaccharide composed of alpha-L-rhamnose, alpha-D-galactose, N-acetyl beta-D-glucosamine and alpha-L-rhamnose units joined by sequential (1->3)-, (1->3)- and (1->4)-linkages.
The molecule O=C1N[C@@](ON=C1[C@H](CC)C)(C(=O)OCC)[C@H](CC)C O=C1N[C@@](ON=C1[C@H](CC)C)(C(=O)OCC)[C@H](CC)C is Conflamide B. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule OC(=O)C(=O)Cc1ccccc1 OC(=O)C(=O)Cc1ccccc1 is A 2-oxo monocarboxylic acid that is 3-phenylpropanoic acid substituted by an oxo group at position 2. It is an intermediate metabolite in the phenylalanine pathway. It has the role of chromogenic compound . It has the role of fundamental metabolite . It has the role of EC 6.4.1.1 (pyruvate carboxylase) inhibitor . Its functional parent is pyruvic acid . It is a conjugate acid of keto-phenylpyruvate . It is also related to or classified as 2-oxo monocarboxylic acid  .
The molecule O([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1NC(=O)C)CO)C[C@H]2OC(O)[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)C)CO)[C@@H](O)[C@H]2O O([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1NC(=O)C)CO)C[C@H]2OC(O)[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)C)CO)[C@@H](O)[C@H]2O is an amino trisaccharide that is D-galactopyranose in which the hydroxy groups at posiitons 2 and 6 have been converted into the corresponding 2-acetamido-2-deoxy-beta-D-glucopyranosyl derivatives. Its functional parent is beta-D-GlcpNAc-(1->6)-D-Galp . It is also related to or classified as acetamides , glucosamine oligosaccharide , amino trisaccharide .
The molecule C12C(C3(C1N(C(NC3=O)=O)[C@@H]4O[C@@H]([C@H](C4)O)COP(=O)(O)O)C)C(=NC(N2[C@@H]5O[C@@H]([C@H](C5)O)COP(=O)(O)O)=O)N C12C(C3(C1N(C(NC3=O)=O)[C@@H]4O[C@@H]([C@H](C4)O)COP(=O)(O)O)C)C(=NC(N2[C@@H]5O[C@@H]([C@H](C5)O)COP(=O)(O)O)=O)N is A cyclobutadipyrimidine bis(deoxyribonucleotide) obtained by formal cyclodimerisation of 2'-deoxycytidine 5'-monophosphate and thymidine 5'-monophosphate. It has the role of Mycoplasma genitalium metabolite . It is also related to or classified as cyclobutadipyrimidine bis(deoxyribonucleotide) .
The molecule [H][C@]12C[C@@H](O)[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CC[C@H](O)C(C)C)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CCC(=O)C2 [H][C@]12C[C@@H](O)[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CC[C@H](O)C(C)C)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CCC(=O)C2 is 7alpha,24-Dihydroxy-5beta-cholestan-3-one with S configuration at C-24. It is also related to or classified as 7alpha,24-dihydroxy-5beta-cholestan-3-one  .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1OC2[C@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)OC3[C@@H]([C@H](C([C@H]([C@H]3O)O)O)O)O)O)O)O)O)O)O)O)[C@@H](CCCCCCCCCCCCCCC)O is an inositol phosphomannosylinositol phosphoceramide compound having an inositol 1-phosphoryl group linked at the 6-position to the mannose residue and a hexacosanoyl group amide-linked to a C18 sphinganine base, with no hydroxylation at C-4 of the long-chain base or on the C26 very-long-chain fatty acid. It has a role as a Saccharomyces cerevisiae metabolite. It derives from a Man-1-2-Ins-1-P-Cer(d18:0/26:0).
The molecule CCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC is A phytoceramide in which the ceramide N-acyl group is specified as 2-hydroxydocosanoyl. It is also related to or classified as N-acylphytosphingosine  .
The molecule C1=CC2=C(C(C1O)O)NC(=CC2=O)C(=O)O is the 7,8-dihydro-7,8-dihydroxy derivative of kynurenic acid. It derives from a kynurenic acid. It is a conjugate acid of a 7,8-dihydro-7,8-dihydroxykynurenate.
The molecule CC(=O)Nc1ccc(Cl)cc1 CC(=O)Nc1ccc(Cl)cc1 is acetamide substituted on nitrogen by a para-chlorophenyl group. It is also related to or classified as acetamides , monochlorobenzenes .
The molecule NC1=C(C=CC=C1)C(=O)NC1CC(=O)C2=CC=CC=C2NC1=O NC1=C(C=CC=C1)C(=O)NC1CC(=O)C2=CC=CC=C2NC1=O is A member of the class of benzazepines that is 2,3,4,5-tetrahydro-1H-1-benzazepine substituted by oxo groups at positions 2 and 5 and a o-aminobenzamido group at position 4. It is a secondary metabolite found in Aspergillus terreus. It has the role of Aspergillus metabolite . Its functional parent is anthranilic acid . It is also related to or classified as secondary carboxamide  .   It is also related to or classified as benzazepine  . It is also related to or classified as anilines , benzamides .
The molecule O=C([O-])[C@@H](N(O)O)CCCCCCCSC O=C([O-])[C@@H](N(O)O)CCCCCCCSC is an N,N-dihydroxy-L-polyhomomethioninate that is the conjugate base of N,N-dihydroxy-L-pentahomomethionine, obtained by deprotonation of the carboxy group; major species at pH 7.3.  It is also related to or classified as N,N-dihydroxypentahomomethioninate  . It is also related to or classified as N,N-dihydroxy-L-polyhomomethioninate .
The molecule O=C1C2=C(O)C=3C(=C(C(CC)=CC3O)C(=O)OC)C(=C2C(=O)C=4C1=C(O)C=CC4)O O=C1C2=C(O)C=3C(=C(C(CC)=CC3O)C(=O)OC)C(=C2C(=O)C=4C1=C(O)C=CC4)O is Anhydromaggiemycin. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule O=C(O)[C@@H](NO)CCCCCCCSC O=C(O)[C@@H](NO)CCCCCCCSC is an N-hydroxy-L-polyhomomethionine in which there are seven methylene groups between the alpha-carbon and sulfur atoms. It is a conjugate acid of N-hydroxy-L-pentahomomethioninate .  It is also related to or classified as N-hydroxypentahomomethionine  . It is also related to or classified as N-hydroxy-L-polyhomomethionine .
The molecule CC\C=C/C(O)=O CC\C=C/C(O)=O is A pent-3-enoic acid in cis- configuration. It is also related to or classified as pent-2-enoic acid  .
The molecule O=C([O-])[C@@H](NO)CCCCCCCSC O=C([O-])[C@@H](NO)CCCCCCCSC is an N-hydroxy-L-polyhomomethioninate that is the conjugate base of N-hydroxy-L-pentahomomethionine, obtained by deprotonation of the carboxy group; major species at pH 7.3.  It is also related to or classified as N-hydroxypentahomomethioninate  . It is also related to or classified as N-hydroxy-L-polyhomomethioninate .
The molecule O=C(O)[C@@H](N(O)O)CCCCCCSC O=C(O)[C@@H](N(O)O)CCCCCCSC is an N,N-dihydroxy-L-polyhomomethionine in which there are six methylene groups between the alpha-carbon and sulfur atoms. It is a conjugate acid of N,N-dihydroxy-L-tetrahomomethioninate .  It is also related to or classified as N,N-dihydroxytetrahomomethionine  . It is also related to or classified as N,N-dihydroxy-L-polyhomomethionine .
The molecule O1C=CC(=C1)C1=CC=CC=C1 O1C=CC(=C1)C1=CC=CC=C1 is A member of the class of furans that is furan in which the hydrogen at position 3 is replaced by a phenyl group. It is a  maillard reaction product identified in mushroom hydrolysates. It has the role of flavouring agent . It has the role of fungal metabolite . It has the role of Maillard reaction product . It is also related to or classified as benzenes , furans .
The molecule O=C([O-])[C@@H](N(O)O)CCCCCCSC O=C([O-])[C@@H](N(O)O)CCCCCCSC is an N,N-dihydroxy-L-polyhomomethioninate that is the conjugate base of N,N-dihydroxy-L-tetrahomomethionine, obtained by deprotonation of the carboxy group; major species at pH 7.3.  It is also related to or classified as N,N-dihydroxytetrahomomethioninate  . It is also related to or classified as N,N-dihydroxy-L-polyhomomethioninate .
The molecule COC1=C(O)C(C2=CNC3=CC=CC=C23)=C(OC)C(CC=C(C)C)=C1C1=CNC2=CC=CC=C12 COC1=C(O)C(C2=CNC3=CC=CC=C23)=C(OC)C(CC=C(C)C)=C1C1=CNC2=CC=CC=C12 is A bisindole alkaloid that is phenol bearing a 3,3-dimethylallyl group at position 4, two methoxy groups at positions 3 and 6, and two indol-3-yl groups at positions 2 and 5. It is a natural product isolated from the sclerotia of Aspergillus orbraceus, with moderate activity against some insects, as well as Gram-positive bacteria. It has the role of insecticide . It has the role of antibacterial agent . It has the role of Aspergillus metabolite .  It is also related to or classified as phenols  . It is also related to or classified as indoles , dimethoxybenzene , bisindole alkaloid , olefinic compound .
The molecule O=C(O)[C@@H](NO)CCCCCCSC O=C(O)[C@@H](NO)CCCCCCSC is an N-hydroxy-L-polyhomomethionine in which there are six methylene groups between the alpha-carbon and sulfur atoms. It is a conjugate acid of N-hydroxy-L-tetrahomomethioninate .  It is also related to or classified as N-hydroxytetrahomomethionine  . It is also related to or classified as N-hydroxy-L-polyhomomethionine .
The molecule O=C([O-])[C@@H](NO)CCCCCCSC O=C([O-])[C@@H](NO)CCCCCCSC is an N-hydroxy-L-polyhomomethioninate that is the conjugate base of N-hydroxy-L-tetrahomomethionine, obtained by deprotonation of the carboxy group; major species at pH 7.3.  It is also related to or classified as N-hydroxytetrahomomethioninate  . It is also related to or classified as N-hydroxy-L-polyhomomethioninate .
The molecule CCCC\C=C\C=C\C=C\CCCCCCCC(O)=O CCCC\C=C\C=C\C=C\CCCCCCCC(O)=O is the all-trans isomer of 9,11,13-octadecatrienoic acid. It is also related to or classified as 9,11,13-octadecatrienoic acid  .
The molecule O=C(O)[C@@H](N(O)O)CCCCCSC O=C(O)[C@@H](N(O)O)CCCCCSC is an N,N-dihydroxy-L-polyhomomethionine in which there are five methylene groups between the alpha-carbon and sulfur atoms. It is a conjugate acid of N,N-dihydroxy-L-trihomomethioninate .  It is also related to or classified as N,N-dihydroxytrihomomethionine  . It is also related to or classified as N,N-dihydroxy-L-polyhomomethionine .
The molecule C([C@H]1C(S[C@@]2([C@@H](C(N12)=O)N)[H])(C)C)(O)=O C([C@H]1C(S[C@@]2([C@@H](C(N12)=O)N)[H])(C)C)(O)=O is A penicillanic acid compound having a (6R)-amino substituent. The active nucleus common to all penicillins, it may be substituted at the 6-amino position to form the semisynthetic penicillins, resulting in a variety of antibacterial and pharmacologic characteristics. It has the role of allergen . Its functional parent is penicillanic acid . It is a conjugate acid of 6-aminopenicillanate . It is also related to or classified as penicillanic acids .
The molecule O=C([O-])[C@@H](N(O)O)CCCCCSC O=C([O-])[C@@H](N(O)O)CCCCCSC is an N,N-dihydroxy-L-polyhomomethioninate that is the conjugate base of N,N-dihydroxy-L-trihomomethionine, obtained by deprotonation of the carboxy group; major species at pH 7.3.  It is also related to or classified as N,N-dihydroxytrihomomethioninate  . It is also related to or classified as N,N-dihydroxy-L-polyhomomethioninate .
The molecule CCCCCCC#CCCCCCCCCCC(O)=O CCCCCCC#CCCCCCCCCCC(O)=O is an octadecynoic acid having its triple bond at position 11. It is also related to or classified as octadecynoic acid .
The molecule [H]C(CCC)=CCC=C([H])C=C([H])CCCCCCCC([O-])=O [H]C(CCC)=CCC=C([H])C=C([H])CCCCCCCC([O-])=O is any octadecatrienoate having double bonds at positions 9, 11 and 14. It is also related to or classified as octadecatrienoate  .
The molecule O=C(O)[C@@H](NO)CCCCCSC O=C(O)[C@@H](NO)CCCCCSC is an N-hydroxy-L-polyhomomethionine in which there are five methylene groups between the alpha-carbon and sulfur atoms. It is a conjugate acid of N-hydroxy-L-trihomomethioninate .  It is also related to or classified as N-hydroxytrihomomethionine  . It is also related to or classified as N-hydroxy-L-polyhomomethionine .
The molecule O1C(=CC=C1)C(OC)=O O1C(=CC=C1)C(OC)=O is Methyl 2-Furancarboxylate. Its functional parent is 2-furoic acid . It is also related to or classified as carboxylic ester  .
The molecule [H]C(CCC)=CCC=C([H])C=C([H])CCCCCCCC(O)=O [H]C(CCC)=CCC=C([H])C=C([H])CCCCCCCC(O)=O is any octadecatrienoic acid with three double bonds at positions 9, 11 and 14. It is a conjugate acid of 9,11,14-octadecatrienoate . It is also related to or classified as octadecatrienoic acid .
The molecule O=C([O-])[C@@H](NO)CCCCCSC O=C([O-])[C@@H](NO)CCCCCSC is an N-hydroxy-L-polyhomomethioninate that is the conjugate base of N-hydroxy-L-trihomomethionine, obtained by deprotonation of the carboxy group; major species at pH 7.3.  It is also related to or classified as N-hydroxytrihomomethioninate  . It is also related to or classified as N-hydroxy-L-polyhomomethioninate .
The molecule OC[C@H]1OC(O)[C@H](NS([O-])(=O)=O)[C@@H](O)[C@@H]1O OC[C@H]1OC(O)[C@H](NS([O-])(=O)=O)[C@@H](O)[C@@H]1O is an organic sulfamate oxoanion resulting from the removal of the proton from the sulfamic acid group of N-sulfo-D-glucosamine. It is also related to or classified as organic sulfamate oxoanion  .
The molecule O=C(O)[C@@H](N(O)O)CCCCSC O=C(O)[C@@H](N(O)O)CCCCSC is an N,N-dihydroxy-L-polyhomomethionine in which there are four methylene groups between the alpha-carbon and sulfur atoms. It is a conjugate acid of N,N-dihydroxy-L-dihomomethioninate .  It is also related to or classified as N,N-dihydroxydihomomethionine  . It is also related to or classified as N,N-dihydroxy-L-polyhomomethionine .
The molecule [O-]C(=O)C(=[NH2+])Cc1c[nH]c2c(Cl)cccc12 [O-]C(=O)C(=[NH2+])Cc1c[nH]c2c(Cl)cccc12 is A zwitterion resulting from the transfer of a proton from the carboxy group to the nitrogen of the imino tautomer of 7-chloro-alpha,beta-didehydrotryptophan. It is a conjugate acid of 2-imino-3-(7-chloroindol-3-yl)propionate(1-) . It is also related to or classified as zwitterion  .
The molecule O=C([O-])[C@@H](N(O)O)CCCCSC O=C([O-])[C@@H](N(O)O)CCCCSC is an N,N-dihydroxy-L-polyhomomethioninate that is the conjugate base of N,N-dihydroxy-L-dihomomethionine, obtained by deprotonation of the carboxy group; major species at pH 7.3.  It is also related to or classified as N,N-dihydroxydihomomethioninate  . It is also related to or classified as N,N-dihydroxy-L-polyhomomethioninate .
The molecule N\C(=C/c1c[nH]c2c(Cl)cccc12)C(O)=O N\C(=C/c1c[nH]c2c(Cl)cccc12)C(O)=O is A 2,3-dehydroamino acid derived from 7-chlorotryptophan. It is also related to or classified as 2,3-dehydroamino acid .
The molecule O=C(O)[C@@H](NO)CCCCSC O=C(O)[C@@H](NO)CCCCSC is an N-hydroxy-L-polyhomomethionine in which there are four methylene groups between the alpha-carbon and sulfur atoms. It is a conjugate acid of N-hydroxy-L-dihomomethioninate .  It is also related to or classified as N-hydroxydihomomethionine  . It is also related to or classified as N-hydroxy-L-polyhomomethionine .
The molecule O=C([O-])[C@@H](NO)CCCCSC O=C([O-])[C@@H](NO)CCCCSC is an N-hydroxy-L-polyhomomethioninate that is the conjugate base of N-hydroxy-L-dihomomethionine, obtained by deprotonation of the carboxy group; major species at pH 7.3.  It is also related to or classified as N-hydroxydihomomethioninate  . It is also related to or classified as N-hydroxy-L-polyhomomethioninate .
The molecule [NH3+]CCc1ccc(O)c(O)c1 [NH3+]CCc1ccc(O)c(O)c1 is an ammonium ion that is the conjugate acid of dopamine; major species at pH 7.3. It has the role of human metabolite . It is a conjugate acid of dopamine . It is also related to or classified as ammonium ion derivative .
The molecule [C@H]1(CCCC(O)=O)[C@H](/C=C/C=C/C=C\C/C=C\C=C\[C@H](CC)O)O1 [C@H]1(CCCC(O)=O)[C@H](/C=C/C=C/C=C\C/C=C\C=C\[C@H](CC)O)O1 is A 5(),6(S)-epoxy-18-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoic acid in which the 18-hydroxy group has S-configuration. It has the role of human metabolite . It is a conjugate acid of 5(S),6(S)-epoxy-18(S)-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoate . It is also related to or classified as 5(S),6(S)-epoxy-18-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoic acid  .
The molecule OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F is A fluoroalkanoic acid that is nonanoic acid in which all of the hydrogens in the alkyl chain are replaced by fluorines. It has the role of surfactant . It has the role of xenobiotic . It has the role of persistent organic pollutant . Its functional parent is nonanoic acid . It is also related to or classified as fluoroalkanoic acid .
The molecule C(CC=[C@]=C([H])CCCC(O)=O)CCCCCC\C=C\C C(CC=[C@]=C([H])CCCC(O)=O)CCCCCC\C=C\C is the (R)-enantiomer of lamenallenic acid. It is also related to or classified as lamenallenic acid  .
The molecule [C@H]1(CCCC([O-])=O)[C@H](/C=C/C=C/C=C\C/C=C\C=C\[C@H](CC)O)O1 [C@H]1(CCCC([O-])=O)[C@H](/C=C/C=C/C=C\C/C=C\C=C\[C@H](CC)O)O1 is A 5(),6(S)-epoxy-18-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoate in which the 12-hydroxy group has S-configuration. It is also related to or classified as 5(S),6(S)-epoxy-18-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoate  .
The molecule CC(=O)N[C@H]1C(O[C@H](CO)[C@@H](O)[C@@H]1OC(=C)C(O)=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O CC(=O)N[C@H]1C(O[C@H](CO)[C@@H](O)[C@@H]1OC(=C)C(O)=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O is A UDP-amino sugar having N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine as the sugar component. Its functional parent is UDP-D-glucosamine . It is a conjugate acid of UDP-N-acetyl-3-O-(1-carboxylatovinyl)-D-glucosamine(3-) . It is also related to or classified as UDP-amino sugar .