mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>[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</smiles> 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 <smiles>CC(=CCC1=C(C=CC2=C1OC(CC2=O)C3=C(C=C(C=C3)O)O)O)C</smiles> 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 <smiles>CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC</smiles> 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 <smiles>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</smiles> 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 <smiles>O=C1N[C@@](ON=C1[C@H](CC)C)(C(=O)OCC)[C@H](CC)C</smiles> is Conflamide B. Its functional parent is alpha-amino acid. It is also related to or classified as organonitrogen compound, organooxygen compound.
The molecule <smiles>OC(=O)C(=O)Cc1ccccc1</smiles> 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 <smiles>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</smiles> 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 <smiles>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</smiles> 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 <smiles>[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</smiles> 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 <smiles>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</smiles> 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 <smiles>CCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC</smiles> 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 <smiles>C1=CC2=C(C(C1O)O)NC(=CC2=O)C(=O)O</smiles> 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 <smiles>CC(=O)Nc1ccc(Cl)cc1</smiles> is acetamide substituted on nitrogen by a para-chlorophenyl group. It is also related to or classified as acetamides, monochlorobenzenes.
The molecule <smiles>NC1=C(C=CC=C1)C(=O)NC1CC(=O)C2=CC=CC=C2NC1=O</smiles> 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 <smiles>O=C([O-])[C@@H](N(O)O)CCCCCCCSC</smiles> 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 <smiles>O=C1C2=C(O)C=3C(=C(C(CC)=CC3O)C(=O)OC)C(=C2C(=O)C=4C1=C(O)C=CC4)O</smiles> is Anhydromaggiemycin. It is also related to or classified as quinone . It is also related to or classified as tetracenes.
The molecule <smiles>O=C(O)[C@@H](NO)CCCCCCCSC</smiles> 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 <smiles>CC\C=C/C(O)=O</smiles> is A pent-3-enoic acid in cis- configuration. It is also related to or classified as pent-2-enoic acid .
The molecule <smiles>O=C([O-])[C@@H](NO)CCCCCCCSC</smiles> 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 <smiles>O=C(O)[C@@H](N(O)O)CCCCCCSC</smiles> 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 <smiles>O1C=CC(=C1)C1=CC=CC=C1</smiles> 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 <smiles>O=C([O-])[C@@H](N(O)O)CCCCCCSC</smiles> 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 <smiles>COC1=C(O)C(C2=CNC3=CC=CC=C23)=C(OC)C(CC=C(C)C)=C1C1=CNC2=CC=CC=C12</smiles> 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 <smiles>O=C(O)[C@@H](NO)CCCCCCSC</smiles> 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 <smiles>O=C([O-])[C@@H](NO)CCCCCCSC</smiles> 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 <smiles>CCCC\C=C\C=C\C=C\CCCCCCCC(O)=O</smiles> 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 <smiles>O=C(O)[C@@H](N(O)O)CCCCCSC</smiles> 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 <smiles>C([C@H]1C(S[C@@]2([C@@H](C(N12)=O)N)[H])(C)C)(O)=O</smiles> 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 <smiles>O=C([O-])[C@@H](N(O)O)CCCCCSC</smiles> 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 <smiles>CCCCCCC#CCCCCCCCCCC(O)=O</smiles> is an octadecynoic acid having its triple bond at position 11. It is also related to or classified as octadecynoic acid.
The molecule <smiles>[H]C(CCC)=CCC=C([H])C=C([H])CCCCCCCC([O-])=O</smiles> is any octadecatrienoate having double bonds at positions 9, 11 and 14. It is also related to or classified as octadecatrienoate .
The molecule <smiles>O=C(O)[C@@H](NO)CCCCCSC</smiles> 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 <smiles>O1C(=CC=C1)C(OC)=O</smiles> is Methyl 2-Furancarboxylate. Its functional parent is 2-furoic acid. It is also related to or classified as carboxylic ester .
The molecule <smiles>[H]C(CCC)=CCC=C([H])C=C([H])CCCCCCCC(O)=O</smiles> 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 <smiles>O=C([O-])[C@@H](NO)CCCCCSC</smiles> 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 <smiles>OC[C@H]1OC(O)[C@H](NS([O-])(=O)=O)[C@@H](O)[C@@H]1O</smiles> 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 <smiles>O=C(O)[C@@H](N(O)O)CCCCSC</smiles> 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 <smiles>[O-]C(=O)C(=[NH2+])Cc1c[nH]c2c(Cl)cccc12</smiles> 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 <smiles>O=C([O-])[C@@H](N(O)O)CCCCSC</smiles> 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 <smiles>N\C(=C/c1c[nH]c2c(Cl)cccc12)C(O)=O</smiles> is A 2,3-dehydroamino acid derived from 7-chlorotryptophan. It is also related to or classified as 2,3-dehydroamino acid.
The molecule <smiles>O=C(O)[C@@H](NO)CCCCSC</smiles> 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 <smiles>O=C([O-])[C@@H](NO)CCCCSC</smiles> 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 <smiles>[NH3+]CCc1ccc(O)c(O)c1</smiles> 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 <smiles>[C@H]1(CCCC(O)=O)[C@H](/C=C/C=C/C=C\C/C=C\C=C\[C@H](CC)O)O1</smiles> 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 <smiles>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</smiles> 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 <smiles>C(CC=[C@]=C([H])CCCC(O)=O)CCCCCC\C=C\C</smiles> is the (R)-enantiomer of lamenallenic acid. It is also related to or classified as lamenallenic acid .
The molecule <smiles>[C@H]1(CCCC([O-])=O)[C@H](/C=C/C=C/C=C\C/C=C\C=C\[C@H](CC)O)O1</smiles> 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 <smiles>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</smiles> 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.
The molecule <smiles>C[C@@](O)(\C=C\[C@H]1CC=CC(=O)O1)[C@@H](C[C@@H](O)\C=C/C=C\C=C\CO)OP(O)(O)=O</smiles> is A structurally unique, naturally-occurring phosphate monoester isolated from the soil bacterium Streptomyces pulveraceus. It inhibits DNA topoisomerase II as well as several protein phosphatase including PP2A and PPA4, and exhibits potent antitumor activity against several cancer cell lines. It has the role of topoisomerase II inhibitor. It has the role of antineoplastic agent. It has the role of EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor. It has the role of apoptosis inhibitor. It has the role of bacterial metabolite. It is also related to or classified as primary allylic alcohol . It is also related to or classified as secondary allylic alcohol . It is also related to or classified as polyketide .   It is also related to or classified as phosphate monoester . It is also related to or classified as triol, 2-pyranones, olefinic compound.
The molecule <smiles>CC/C=C\C\C=C/C=C/C(C\C=C/C=C/C(CCCCCC(=O)O)O)O</smiles> is A docosanoid that is (8E,10Z,14E,16Z,19Z)-docosapentaenoic acid carrying two hydroxy substituents at positions 7 and 13. It has the role of anti-inflammatory agent. It has the role of mouse metabolite. It has the role of human xenobiotic metabolite. It is a conjugate acid of resolvin T4(1-). It is also related to or classified as docosanoid, resolvin, hydroxy polyunsaturated fatty acid.
The molecule <smiles>CC/C=C\C\C=C/C=C/C(C\C=C/C=C/C(CCCCCC(=O)[O-])O)O</smiles> is A docosanoid anion that is the conjugate base of resolvin T4, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as docosanoid anion, hydroxy fatty acid anion.
The molecule <smiles>CCCC\C=C\C=C/C=C/CCCCCCCC(O)=O</smiles> is A  9,11,13-octadecatrienoic acid having its double bonds in trans, cis and trans configurations, respectively. It is also related to or classified as 9,11,13-octadecatrienoic acid .
The molecule <smiles>CC/C=C\C/C=C\C=C\C(/C=C/C=C/C(C(CCCCCC(=O)O)O)O)O</smiles> is A docosanoid that is (9E,11E,14E,16Z,19Z)-docosapentaenoic acid carrying three hydroxy substituents at positions 7, 8 and 13. It has the role of anti-inflammatory agent. It has the role of mouse metabolite. It has the role of human xenobiotic metabolite. It is a conjugate acid of resolvin T3(1-). It is also related to or classified as docosanoid, resolvin, hydroxy polyunsaturated fatty acid.
The molecule <smiles>C(CC=[C@]=C([H])CCCC(O)=O)CCCCCCCCC</smiles> is the (R)-enantiomer of laballenic acid. It is also related to or classified as laballenic acid .
The molecule <smiles>Nc1c(NC[C@H](O)[C@H](O)[C@H](O)COP([O-])([O-])=O)[nH]c(=O)[nH]c1=O</smiles> is dianion of 5-amino-6-(5-phosphoribitylamino)uracil arising from deprotonation of both phosphate OH groups. It has the role of Saccharomyces cerevisiae metabolite. It is also related to or classified as organophosphate oxoanion.
The molecule <smiles>CC/C=C\C/C=C\C=C\C(/C=C/C=C/C(C(CCCCCC(=O)[O-])O)O)O</smiles> is A docosanoid anion that is the conjugate base of resolvin T3, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as docosanoid anion, hydroxy fatty acid anion.
The molecule <smiles>[H]C(CCCCCCCCCC(O)=O)=CC([H])=CC([H])=CCC</smiles> is any octadecatrienoic acid with three fully-conjugated double bonds at positions 11, 13 and 15. It is also related to or classified as octadecatrienoic acid.
The molecule <smiles>CC/C=C\C/C=C\C=C\C(C(/C=C/C=C\C(CCCCCC(O)=O)O)O)O</smiles> is A docosanoid that is (8Z,10E,14E,16Z,19Z)-docosapentaenoic acid carrying three hydroxy substituents at positions 7, 12 and 13. It has the role of anti-inflammatory agent. It has the role of mouse metabolite. It has the role of human xenobiotic metabolite. It is a conjugate acid of resolvin T2(1-). It is also related to or classified as docosanoid, resolvin, hydroxy polyunsaturated fatty acid.
The molecule <smiles>C(CC=C=CCCCC(O)=O)CCCCCC\C=C\C</smiles> is an allenic octadecatrienic acid having the allenic group at position 5 and a trans double bond at the 16-position. It is also related to or classified as allenic fatty acid, octadecatrienoic acid.
The molecule <smiles>CC/C=C\C\C=C/C=C/C(C(/C=C/C=C\C(CCCCCC(=O)[O-])O)O)O</smiles> is A docosanoid anion that is the conjugate base of resolvin T2, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as docosanoid anion, hydroxy fatty acid anion.
The molecule <smiles>CCC(\C=C\C=C/C=C/C(C\C=C/C=C/C(CCCCCC(=O)O)O)O)O</smiles> is A docosanoid that is (8E,10Z,14E,16Z,18E)-docosapentaenoic acid carrying three hydroxy substituents at positions 7, 13 and 20. It has the role of anti-inflammatory agent. It has the role of mouse metabolite. It has the role of human xenobiotic metabolite. It is a conjugate acid of resolvin T1(1-). It is also related to or classified as docosanoid, resolvin, hydroxy polyunsaturated fatty acid.
The molecule <smiles>O=C1N([C@H](C(=O)N[C@H]1CC=2C3=C(C=CC=C3)NC2)CC4=CC=C(O)C=C4)C</smiles> is Quellenin. Its functional parent is alpha-amino acid. It is also related to or classified as organonitrogen compound, organooxygen compound.
The molecule <smiles>CCC(\C=C\C=C/C=C/C(C\C=C/C=C/C(CCCCCC(=O)[O-])O)O)O</smiles> is A docosanoid anion that is the conjugate base of resolvin T1, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as docosanoid anion, hydroxy fatty acid anion.
The molecule <smiles>CCCCCCCC1=CC=CO1</smiles> is A member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a heptyl group. It is an effective inhibitor of chemical induced carcinogenesis. It has the role of plant growth regulator. It has the role of antineoplastic agent. It has the role of flavouring agent. It has the role of mammalian metabolite. It has the role of plant metabolite. It has the role of fungal metabolite. It has the role of Maillard reaction product. It is also related to or classified as furans.
The molecule <smiles>C[C@@H]1O[C@@H](OC2=CC=CC3=C2C(=O)C2=C(O)C4=C(C[C@](C)(O)C[C@@H]4O)C(O)=C2C3=O)[C@@H](O)[C@@H]([C@@H]1O)N(C)C</smiles> is an anthracycline that is komodoquinone B in which the hydroxy group at position 1 is replaced by a 3,6-dideoxy-3-(dimethylamino)-alpha-L-galactopyranoside group. First isolated from the marine bacterium Streptomyces sp. KS3, it induces neuronal cell differentiation in the neuroblastoma cell line. It has the role of marine metabolite. It has the role of bacterial metabolite. Its functional parent is komodoquinone B. It is also related to or classified as tertiary alcohol . It is also related to or classified as diketone .  It is also related to or classified as anthracycline . It is also related to or classified as aminoglycoside, tertiary amino compound, tetracenequinones.