mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>P(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N2C=NC=3C(=NC=NC32)N)([O-])O[C@H]4[C@@H](O[C@@H]([C@H]4O)COP(=O)([O-])[O-])N5C=NC=6C(NC(=NC65)N)=O</smiles> is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of pGp[2'-5']A; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion.
The molecule <smiles>C[C@H](CCCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> is coA ester of ascr#33. It is also related to or classified as organic molecular entity.
The molecule <smiles>[O-]C(=O)CCc1c2Cc3[nH]c(Cc4[nH]c(Cc5[nH]c(Cc([nH]2)c1CC([O-])=O)c(CCC([O-])=O)c5CC([O-])=O)c(CCC([O-])=O)c4CC([O-])=O)c(CCC([O-])=O)c3CC([O-])=O</smiles> is the cyclic tetrapyrrole anion that is the octacarboxylate anion of uroporphyrinogen I. It is also related to or classified as cyclic tetrapyrrole anion.
The molecule <smiles>NC(=O)C1=NC(F)=CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C1=O</smiles> is A nuceloside analogue in which the nucleobase is favipiravir. It is a RNA-dependent RNA polymerase inhibitor which exhibits anti-influenza and anti-coronaviral activities. It has the role of anticoronaviral agent. It has the role of EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor. It has the role of antiviral drug. Its functional parent is favipiravir. It is also related to or classified as primary carboxamide .  It is also related to or classified as organofluorine compound . It is also related to or classified as pyrazinone, nucleoside analogue, organic triphosphate.
The molecule <smiles>C(\CC)=C\CC1C(C/C=C\C/C=C\C/C=C\CCCC(=O)O)O1</smiles> is an EpETE obtained by formal epoxidation of the 14,15-double bond of all-cis-5,8,11,14,17-icosapentaenoic acid. Its functional parent is all-cis-5,8,11,14,17-icosapentaenoic acid. It is a conjugate acid of (5Z,8Z,11Z,17Z)-14,15-epoxyicosatetraenoate. It is also related to or classified as EpETE.
The molecule <smiles>C[C@H](CCCCCCCCCCCCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> is an (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E,18R)-18-hydroxynonadec-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite. Its functional parent is (2E,18R)-18-hydroxynonadec-2-enoic acid. It is a conjugate acid of ascr#33(1-). It is also related to or classified as alpha,beta-unsaturated monocarboxylic acid, (omega-1)-hydroxy fatty acid ascaroside.
The molecule <smiles>CCC(O)CCCCCCCCC(O)=O</smiles> is A hydroxy fatty acid comprising lauric acid carrying a single hydroxy substituent at position 10. Its functional parent is dodecanoic acid. It is a conjugate acid of 10-hydroxylaurate.  It is also related to or classified as medium-chain fatty acid . It is also related to or classified as hydroxy fatty acid.
The molecule <smiles>S1S[C@H]2[C@H](O)[C@H]3N4[C@]1(C(=O)N5[C@@H]6[C@@H](O)[C@@H](OCC)[C@@H]7S[C@@]5(C4=O)C[C@H]6C7=O)C[C@H]3C(C2)=O</smiles> is Epicoccin S. Its functional parent is alpha-amino acid. It is also related to or classified as organonitrogen compound, organooxygen compound.
The molecule <smiles>[75As]</smiles> is A stable isotope of arsenic with relative atomic mass 74.921596, 100 atom percent natural abundance and nuclear spin 3/2. It is also related to or classified as arsenic atom .
The molecule <smiles>C(\CC)=C\CC1C(C/C=C\C/C=C\C/C=C\CCCC(=O)[O-])O1</smiles> is an EpETE(1-) that is the conjugate base of (5Z,8Z,11Z,17Z)-14,15-epoxyicosatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is all-cis-5,8,11,14,17-icosapentaenoate. It is also related to or classified as EpETE(1-).
The molecule <smiles>C[C@H](CCCCCCCCCCCCCC/C=C/C([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> is conjugate base of ascr#33. It is also related to or classified as organic molecular entity.
The molecule <smiles>O[C@@H]([C@@H](O)C(O)/C=C\C/C=C\CCCC(O)=O)C/C=C\CCCCC</smiles> is (5Z,8Z,14Z)-(11R,12R)-10,11,12-Trihydroxyicosa-5,8,14-trienoic acid. It is also related to or classified as hydroxy fatty acid, polyunsaturated fatty acid.
The molecule <smiles>NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(OC([C@H](CCCC[NH3+])[NH3+])=O)[O-])[C@@H](O)[C@H]3O</smiles> is L-lysyl-5'-AMP(1+). Its functional parent is adenosine 5'-monophosphate. It is also related to or classified as organophosphate oxoanion.
The molecule <smiles>C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O</smiles> is A branched amino nonasaccharide consisting of a linear trisaccharide of beta-D-mannose and two N-acetyl-beta-D-glucosamine residues, all linked (1->4), to the N-acetyl-beta-D-glucosamine at the reducing of which is also linked (1->6) an L-fucose residue, while the mannose residue carries N-acetyl-beta-D-glucosaminyl-(1->2)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-alpha-D-mannosyl and N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl units via (1->6) and (1->3) glycosidic linkages respectively. It is also related to or classified as amino nonasaccharide.
The molecule <smiles>OCCON1CCOCC1</smiles> is A member of the class of morpholines that is morpholine in which the amino group is substituted by a 2-hydroxyethoxy group. It has the role of mouse metabolite. It is also related to or classified as primary alcohol . It is also related to or classified as morpholines, tertiary amino compound.
The molecule <smiles>C(\CC)=C\C/C=C\CC1C(C/C=C\C/C=C\CCCC(=O)O)O1</smiles> is an EpETE obtained by formal epoxidation of the 11,12-double bond of all-cis-5,8,11,14,17-icosapentaenoic acid. Its functional parent is all-cis-5,8,11,14,17-icosapentaenoic acid. It is a conjugate acid of (5Z,8Z,14Z,17Z)-11,12-epoxyicosatetraenoate. It is also related to or classified as EpETE.
The molecule <smiles>C[C@H](CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> is conjugate base of ascr#32-CoA. It is also related to or classified as organic molecular entity.
The molecule <smiles>[H][C@]12CN([C@H](C(=O)N[C@@H](C[C@]3([H])CCNC3=O)C#N)[C@@]1([H])C2(C)C)C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C)C</smiles> is an azabicyclohexane that is (1R,5S)-3-azabicyclo[3.1.0]hexane substituted by {(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}aminoacyl, 3-methyl-N-(trifluoroacetyl)-L-valinamide, methyl and methyl groups at positions 2S, 3, 6 and 6, respectively. It is the first orally administered inhibitor of SARS-CoV-2 main protease developed by Pfizer and used in combination with ritonavir for the treatment of COVID-19. It has the role of EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor. It has the role of anticoronaviral agent. It is also related to or classified as secondary carboxamide . It is also related to or classified as tertiary carboxamide .  It is also related to or classified as nitrile . It is also related to or classified as organofluorine compound .  It is also related to or classified as pyrrolidin-2-ones . It is also related to or classified as azabicyclohexane, pyrrolidinecarboxamide.
The molecule <smiles>C(\CC)=C\C/C=C\CC1C(C/C=C\C/C=C\CCCC(=O)[O-])O1</smiles> is an EpETE(1-) that is the conjugate base of (5Z,8Z,14Z,17Z)-11,12-epoxyicosatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is all-cis-5,8,11,14,17-icosapentaenoate. It is also related to or classified as EpETE(1-).
The molecule <smiles>C[C@H](CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> is coA ester of ascr#32. It is also related to or classified as organic molecular entity.
The molecule <smiles>O1C2C3C4(NC(=[NH+]C3O)N)C(O)[C@](OC1([O-])[C@H]4O)(C2(O)CO)[H]</smiles> is (11S,13S)-3-Amino-5,12,13,14-tetrahydroxy-14-(hydroxymethyl)-8,10-dioxa-2-aza-4-azoniatetracyclo[7.3.1.17,11.01,6]tetradec-3-en-9-olate. Its functional parent is tetrodotoxin. It is also related to or classified as quinazoline alkaloid.
The molecule <smiles>CCCCCC\C=C/CCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N</smiles> is A long-chain (3S)-hydroxy fatty acyl-CoA(4-) obtained by deprotonation of phosphate and diphosphate OH groups of (3S,7Z)-3-hydroxytetradec-7-enoyl-CoA; major species at pH 7.3. It is also related to or classified as long-chain (3S)-hydroxy fatty acyl-CoA(4-) . It is also related to or classified as monounsaturated fatty acyl-CoA(4-) .
The molecule <smiles>OC[C@H]1O[C@@H](S)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A thiosugar that is beta-D-glucopyranose in which the hydroxy group at position 1 is replaced by a sulfanyl group. Its functional parent is beta-D-glucose. It is also related to or classified as thiol . It is also related to or classified as monosaccharide derivative, thiosugar.
The molecule <smiles>CCOC(CCCCCCCCCCCN(C)C(CO[C@@](C)([H])[C@](C)([H])OCC(N(C)CCCCCCCCCCCC(=O)OCC)=O)=O)=O</smiles> is Calcium ionophore I. It has the role of calcium ionophore. It is also related to or classified as organic molecular entity.
The molecule <smiles>C[C@H](CCCCCCCCCCCCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> is an (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (17R)-17-hydroxystearic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite. Its functional parent is (R)-17-hydroxyoctadecanoic acid. It is a conjugate acid of ascr#32(1-). It is also related to or classified as monocarboxylic acid, (omega-1)-hydroxy fatty acid ascaroside.
The molecule <smiles>O(C[C@H](NC(=O)C1=C(O)C(O)=CC=C1)C(OC[C@H](NC(=O)C2=C(O)C(O)=CC=C2)C(O)=O)=O)C(=O)[C@@H](NC(=O)C3=C(O)C(O)=CC=C3)CO</smiles> is N,N',N''-Tris(2,3-dihydroxybenzoyl)-O-L-seryl-O-L-seryl L-serine. Its functional parent is N-benzoylglycine. It is also related to or classified as N-acylglycine .
The molecule <smiles>CC(=O)N[13C@@H]([13CH2][13C](O)=O)[13C](O)=O</smiles> is A (13)C-modified compound that is N-acetyl-L-aspartic acid in which the carbon atoms at postions 1, 2, 3 and 4 are present as their (13)C isotopes. Used in biological studies for metabolic alterations associated with schizophrenia.  It is also related to or classified as N-acetyl-L-aspartic acid . It is also related to or classified as (13)C-modified compound.
The molecule <smiles>CCCCC\C=C/CCCCCCCC(O)=O</smiles> is A 9-pentadecenoic acid in which the double bond adopts cis-configuration. It is a conjugate acid of (9Z)-pentadecenoate. It is also related to or classified as 9-pentadecenoic acid .
The molecule <smiles>C(\CC)=C\C/C=C\C/C=C\CC1C(C/C=C\CCCC(=O)O)O1</smiles> is an EpETE obtained by formal epoxidation of the 8,9-double bond of all-cis-5,8,11,14,17-icosapentaenoic acid. Its functional parent is all-cis-5,8,11,14,17-icosapentaenoic acid. It is a conjugate acid of (5Z,11Z,14Z,17Z)-8,9-epoxyicosatetraenoate. It is also related to or classified as EpETE.
The molecule <smiles>C[C@H](CCCCCCCCCCCCCCCC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> is conjugate base of ascr#32. It is also related to or classified as organic molecular entity.
The molecule <smiles>C(\CC)=C\C/C=C\C/C=C\CC1C(C/C=C\CCCC(=O)[O-])O1</smiles> is an EpETE(1-) that is the conjugate base of (5Z,11Z,14Z,17Z)-8,9-epoxyicosatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is all-cis-5,8,11,14,17-icosapentaenoate. It is also related to or classified as EpETE(1-).
The molecule <smiles>C[C@H](CCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> is conjugate base of ascr#31-CoA. It is also related to or classified as organic molecular entity.
The molecule <smiles>CCCCCCCCC(=O)C([O-])=O</smiles> is A 2-oxo monocarboxylic acid anion that is the conjugate base of 2-oxodecanoic acid arising from the deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is decanoate. It is also related to or classified as 2-oxo monocarboxylic acid anion .
The molecule <smiles>C=1C=CC=C2NC(=C(C12)CC(=O)[O-])O</smiles> is an indol-3-yl carboxylic acid anion resulting from the deprotonation of the carboxy group of 2-hydroxy-(indol-3-yl)acetic acid. This is a very minor tautomer; the major tautomer is the corresponding oxindole. It is also related to or classified as indol-3-yl carboxylic acid anion.
The molecule <smiles>CCCCCC(O)CCCCCCCC(O)=O</smiles> is A hydroxy fatty acid that is myristic acid carrying a single hydroxy substituent at position 9. Its functional parent is tetradecanoic acid. It is a conjugate acid of 9-hydroxymyristate. It is also related to or classified as long-chain fatty acid . It is also related to or classified as hydroxy fatty acid.
The molecule <smiles>C[C@H](CCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> is coA ester of ascr#31. It is also related to or classified as organic molecular entity.
The molecule <smiles>CC[As+](CC)(CC)CC</smiles> is an arsonium ion consisting of four ethyl groups attached to a central arsonium. It is also related to or classified as arsonium ion.
The molecule <smiles>C1C[NH2+][Pt-]2([NH2+]1)[I][Pt-]1([NH2+]CC[NH2+]1)[I]2</smiles> is A platinum coordination entity consisting of two units of ethane-1,2-diamine co-ordinated via its amino groups to di-mu-iododiplatinum. It is also related to or classified as platinum coordination entity.
The molecule <smiles>C1(=CNC2=C1C=CC=C2)CC(C(=O)O)=N</smiles> is A dehydroamino acid that is tryptophan in which the amino group has been oxidised to the corresponding imine. It has the role of bacterial metabolite. It is a conjugate acid of 2-imino-3-(indol-3-yl)propanoate.    It is also related to or classified as ketimine . It is also related to or classified as dehydroamino acid, indoles, tryptophan derivative.
The molecule <smiles>C[C@H](CCCCCCCCCCCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> is an (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E,17R)-17-hydroxyoctadec-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite. Its functional parent is (2E,17R)-17-hydroxyoctadec-2-enoic acid. It is a conjugate acid of ascr#31(1-). It is also related to or classified as alpha,beta-unsaturated monocarboxylic acid, (omega-1)-hydroxy fatty acid ascaroside.
The molecule <smiles>O=C1N/C(/C(=O)NC1CC=2C=3C(NC2)=CC=CC3)=C/C=4NC=NC4</smiles> is Dehydrohistidyltryptophyldiketopiperazine. Its functional parent is alpha-amino acid. It is also related to or classified as organonitrogen compound, organooxygen compound.
The molecule <smiles>C1(=CNC2=C1C=CC=C2)C/C(=N\O)/S</smiles> is A thiohydroximic acid in which the C-substituent is specified as (3-indolyl)methyl (the E-geoisomer). It is a conjugate acid of (E)-2-(indol-3-yl)-1-thioacetohydroximate.  It is also related to or classified as thiohydroximic acid . It is also related to or classified as indoles.
The molecule <smiles>Oc1cccc(c1)-c1cc(Cl)c(Cl)c(Cl)c1Cl</smiles> is an organochlorine compound formed formally by chlorination of biphenyl-3-ol at C-2', -3', -4' and -5'. Its functional parent is biphenyl-3-ol. It is also related to or classified as hydroxybiphenyls . It is also related to or classified as tetrachlorobenzene .
The molecule <smiles>C[C@H](CCCCCCCCCCCCC/C=C/C([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> is conjugate base of ascr#31. It is also related to or classified as organic molecular entity.
The molecule <smiles>O1[C@]23[C@@]4(O)[C@@]([C@@]5([C@@](CC4)(CC6=C5NC7=C6C=8C[C@@]9([C@](C(OC9(C)C)(C)C)(C(=O)C8C=C7)[H])[H])[H])C)(CC[C@@]3(O[C@@H]([C@@H](O)[C@@]12[H])C(C)=C)[H])C</smiles> is Lolitrem K. It is also related to or classified as organic heterotricyclic compound, organooxygen compound.
The molecule <smiles>CCCCC(O)CCCCCCC(O)=O</smiles> is A hydroxy fatty acid comprising lauric acid carrying a single hydroxy substituent at position 8. Its functional parent is dodecanoic acid. It is a conjugate acid of 8-hydroxylaurate.  It is also related to or classified as medium-chain fatty acid . It is also related to or classified as hydroxy fatty acid.
The molecule <smiles>[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@@H]2NC(C)=O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO</smiles> is an amino tetrasaccharide comprising alpha-N-acetylneuraminyl, beta-D-galactosyl, N-acetyl-beta-D-glucosaminyl and alpha-D-mannose residues linked sequentially (2->3), (1->3) and (1->2). It is also related to or classified as glucosamine oligosaccharide, amino tetrasaccharide.
The molecule <smiles>C1(=CNC2=C1C=CC=C2)C/C(=N\O)/[S-]</smiles> is an organic sulfur anion obtained by deprotonation of the sulfanyl group of (E)-2-(indol-3-yl)-1-thioacetohydroximic acid; major species at pH 7.3. It is also related to or classified as organic sulfur anion.
The molecule <smiles>C[C@H](CCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> is conjugate base of ascr#30-CoA. It is also related to or classified as organic molecular entity.
The molecule <smiles>O=C(O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]2C(C3=C[C@H](OC)[C@H]4[C@]5([C@]([C@@H]([C@@H](CCC=C(C)C)C)[C@H](C5)O[C@@H]6O[C@@H]([C@@H](O)[C@@H]([C@H]6O)O)COC(=O)C)(C)CC[C@]4([C@@H]3CC2)C)C)(C)C)OC1)C</smiles> is Hebevinoside V.  It is also related to or classified as glycoside . It is also related to or classified as cucurbitacin.
The molecule <smiles>C1([C@]2(N(C([C@@H](N1)CCCNC(N)=[NH2+])=O)CCC2)[H])=O</smiles> is major microspecies at pH 7.3.    It is also related to or classified as dipeptide .  It is also related to or classified as guanidinium ion . It is also related to or classified as homodetic cyclic peptide, imidazoles, alpha-amino-acid cation, pyrrolopyrazine.
The molecule <smiles>[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O)CO)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@H]3O)CO)O[C@@H]4[C@H]([C@@H](O[C@@H]([C@H]4O)CO)O[C@@H]5[C@H]([C@@H](O[C@@H]([C@H]5O)CO)O)O)O)O)O</smiles> is A glucopentaose consisting of five beta-D-glucosyl residues linked in a linear sequence. It has the role of epitope. It is also related to or classified as glucopentaose.
The molecule <smiles>ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(=O)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl</smiles> is an  organochlorine compound with insecticidal activity. It has the role of insecticide. It has the role of persistent organic pollutant. It is also related to or classified as organochlorine compound . It is also related to or classified as cyclic ketone.
The molecule <smiles>CCCC(O)CCCCCCCC(O)=O</smiles> is A hydroxy fatty acid comprising lauric acid carrying a single hydroxy substituent at position 9. It has the role of plant metabolite. Its functional parent is dodecanoic acid. It is a conjugate acid of 9-hydroxylaurate.  It is also related to or classified as medium-chain fatty acid . It is also related to or classified as hydroxy fatty acid.
The molecule <smiles>[C@@]12(N3CC[C@H]1OC(/C(/CC(=C)[C@](C(OCC2=CC3)=O)(OC(=O)C)C)=C\C)=O)[H]</smiles> is A pyrrolizine alkaloid that is seneciphylline in which the hydroxy hydrogen has been replaced by an acetyl group. It has the role of Jacobaea metabolite. Its functional parent is seneciphylline.   It is also related to or classified as acetate ester . It is also related to or classified as organic heterotricyclic compound, pyrrolizine alkaloid, macrocyclic lactone, olefinic compound.
The molecule <smiles>Oc1ccccc1-c1cc(Cl)ccc1Cl</smiles> is 2',5'-Dichloro-2-biphenylol.  It is also related to or classified as dichlorobenzene . It is also related to or classified as biphenyls.
The molecule <smiles>C[C@H](CCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O</smiles> is coA ester of ascr#30. It is also related to or classified as organic molecular entity.
The molecule <smiles>[C@@]12([N+]3(CC[C@H]1OC(/C(/C[C@@H](C)[C@@](C(OCC2=CC3)=O)(CO)O)=C/C)=O)[O-])[H]</smiles> is A pyrrolizine alkaloid that is senecionane bearing two additional hydroxy substituents at positions 12 and 18, two additional oxo groups at positions 11 and 16 and an N-oxido substituent. It has the role of Jacobaea metabolite. Its functional parent is usaramine. It is also related to or classified as tertiary amine oxide . It is also related to or classified as primary alcohol . It is also related to or classified as diol . It is also related to or classified as tertiary alcohol . It is also related to or classified as organic heterotricyclic compound, pyrrolizine alkaloid, macrocyclic lactone, olefinic compound.
The molecule <smiles>C[C@H](CCCCCCCCCCCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> is an (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (16R)-16-hydroxymargaric acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite. Its functional parent is (16R)-16-hydroxymargaric acid. It is a conjugate acid of ascr#30(1-). It is also related to or classified as monocarboxylic acid, (omega-1)-hydroxy fatty acid ascaroside.
The molecule <smiles>[C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(CC[C@@H](CCCC(C)C)C)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O</smiles> is the (R)-enantiomer of 4,8-dimethylnonanoyl-CoA. Major species at pH 7.3. It is also related to or classified as 4,8-dimethylnonanoyl-CoA(4-) .
The molecule <smiles>O(C=1C(=C(CCCCCCCCCCCCCCC)C=CC1)C(O)=O)C(=O)C</smiles> is 2-Acetoxy-6-pentadecylbenzoic acid.   It is also related to or classified as carboxylic ester . It is also related to or classified as benzoic acids, salicylates.
The molecule <smiles>CCCCCCCCCCCCCCC(=O)C([O-])=O</smiles> is A 2-oxo monocarboxylic acid anion that is the conjugate base of 2-oxohexadecanoic acid arising from the deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is hexadecanoate. It is also related to or classified as 2-oxo monocarboxylic acid anion .
The molecule <smiles>OC(=O)CCCCCCCC/C=C/C=1NC=C(C(=O)C1)C(=O)N</smiles> is Himeic acid D. It is also related to or classified as long-chain fatty acid .
The molecule <smiles>C[C@H](CCCCCCCCCCCCCCC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O</smiles> is conjugate base of ascr#30. It is also related to or classified as organic molecular entity.