anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1[NH3+])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C=O)O)O)[NH3+])O)O)[NH3+] is an ammonium ion resulting from the protonation of all three amino groups of 6'-oxoparomamine. The major species at pH 7.3. It is a conjugate acid of a 6'-oxoparomamine.
The molecule CC1=CC(=C(C=C1)N(CC(=O)[O-])CC(=O)[O-])OCCOC2=C(C=CC(=C2)C(=O)C=[N+]=[N-])N(CC(=O)[O-])CC(=O)[O-].[K+].[K+].[K+].[K+] CC1=CC(=C(C=C1)N(CC(=O)[O-])CC(=O)[O-])OCCOC2=C(C=CC(=C2)C(=O)C=[N+]=[N-])N(CC(=O)[O-])CC(=O)[O-].[K+].[K+].[K+].[K+] is photoactivatable Ca2+ scavenger.  It is also related to or classified as aromatic carboxylate  . It is also related to or classified as aromatic compound .
The molecule C1=CC(=CC=C1[N+](=O)[O-])OS(=O)(=O)[O-] is an aryl sulfate oxoanion resulting from the deprotonation of the sulfooxy group of 4-nitrophenyl hydrogen sulfate. The major microspecies at pH 7.3. It derives from a 4-nitrophenol. It is a conjugate base of a 4-nitrophenyl hydrogen sulfate.
The molecule [H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)COC(=O)CCCCCCCCCCC(=O)OC[C@H](O)[C@@]1([H])OC(=O)C(O)=C1O [H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)COC(=O)CCCCCCCCCCC(=O)OC[C@H](O)[C@@]1([H])OC(=O)C(O)=C1O is 1,12-di-L-ascorbyl dodecanedioate. It has the role of bolaamphiphile . Its functional parent is L-ascorbic acid . Its functional parent is dodecanedioic acid .  It is also related to or classified as diester  . It is also related to or classified as dicarboxylic acids and O-substituted derivatives .
The molecule CC(=O)[C@@H](O)COP(O)(O)=O CC(=O)[C@@H](O)COP(O)(O)=O is (2S)-2-hydroxy-3-oxobutyl phosphate. It is a conjugate acid of (2S)-2-hydroxy-3-oxobutyl phosphate(2-) . It is also related to or classified as 2-hydroxy-3-oxobutyl phosphate  .
The molecule C(CC(=O)[O-])CSSCCCC(=O)[O-] is a dicarboxylic acid dianion resulting from the deprotonation of both of the carboxy groups of 4,4'-disulfanyldibutanoic acid. It is a conjugate base of a 4,4'-disulfanyldibutanoic acid.
The molecule O[C@@H](COP(=O)(OCC[N+](C)(C)C)[O-])COC(CCCCCCC[C@H]1[C@@H](CCCCCCCC)O1)=O O[C@@H](COP(=O)(OCC[N+](C)(C)C)[O-])COC(CCCCCCC[C@H]1[C@@H](CCCCCCCC)O1)=O is an lysophosphatidylcholine derived from epoxidation across the double bond of 1-O-oleoyl-sn-glycero-3-phosphocholine.  It is also related to or classified as 1-O-acyl-sn-glycero-3-phosphocholine  . It is also related to or classified as lysophosphatidylcholine 18:0  . It is also related to or classified as oxidized 1-acyl-sn-glycero-3-phosphocholine zwitterion .
The molecule ClC1=CC=CC(Cl)=C1CSC1=NN=C(S1)C1=NC=CN=C1 ClC1=CC=CC(Cl)=C1CSC1=NN=C(S1)C1=NC=CN=C1 is A member of the class of  thiadiazoles  that is 1,3,4-thiadiazole substituted by pyrazin-2-yl and (2,6-dichlorobenzyl)sulfanediyl groups at positions 2 and 5, respectively. It is a selective activator of mechanosensitive channel piezo1. It has the role of piezo1 agonist . It has the role of glycine transporter 2 inhibitor . It is also related to or classified as organic sulfide  . It is also related to or classified as dichlorobenzene  . It is also related to or classified as thiadiazoles , pyrazines , aromatic compound .
The molecule CC(=O)N[C@H]1[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@@H]2CO)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O CC(=O)N[C@H]1[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@@H]2CO)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O is an amino tetrasaccharide consisting of beta-D-galactose, N-acetyl-beta-D-galactosamine, beta-D-galactose and beta-D-glucose residues in a linear (1->3), (1->4), (1->4) sequence. It is the carbohydrate portion of ganglioside GA1. It has the role of epitope . It is also related to or classified as beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)-beta-D-Galp-(1->4)-D-Glcp  . It is also related to or classified as galactosamine oligosaccharide , amino tetrasaccharide .
The molecule CCCOCCC(C)=O CCCOCCC(C)=O is A ketone that is 4-hydroxy-2-butanone in which the hydroxy hydrogen has been replaced by a propyl group. It is also related to or classified as ketone  . It is also related to or classified as ether  .
The molecule [Na+].[Na+].[O-]c1c([O-])c(=O)c1=O [Na+].[Na+].[O-]c1c([O-])c(=O)c1=O is an organic sodium salt which is the disodium salt of squaric acid. It is also related to or classified as organic sodium salt .
The molecule CCCCOCCOC(=O)C1=CC=CC=C1C(=O)OCCOCCCC is a phthalate ester obtained by the formal condensation of both the carboxy groups of phthalic acid with two molecules of 2-butoxyethanol. It has a role as a xenobiotic. It is a diester and a phthalate ester. It derives from a 2-butoxyethanol.
The molecule CC(C)C[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](C)C([O-])=O CC(C)C[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](C)C([O-])=O is A tripeptide zwitterion resulting from the transfer of a proton from the carboxy group to the amino group of Ala-Leu-Ala. Major microspecies at pH 7.3. It is also related to or classified as tripeptide zwitterion  .
The molecule C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCCC[NH3+])NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]1[C@@H](NC(C)=O)[C@H](O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)OP([O-])(=O)OP([O-])(=O)OC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C(N)=O)C([O-])=O C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCCC[NH3+])NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]1[C@@H](NC(C)=O)[C@H](O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)OP([O-])(=O)OP([O-])(=O)OC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C(N)=O)C([O-])=O is the organophosphate oxoanion that at pH 7.3 is the major microspecies formed from undecaprenyldiphospho-N-acetyl-(N-acetylglucosaminyl)muramoyl-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine, formed by loss of two protons from the diphospho group. It is also related to or classified as organophosphate oxoanion .
The molecule CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC2CSSCC3C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(CSSCC(C(=O)N1)NC(=O)CN)C(=O)NC(C(=O)N4CCCC4C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3)CCCCN)CC(C)C)CCCCN)CCCNC(=N)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C5CCCN5C(=O)C(NC2=O)CC(=O)N)CC(=O)N)CC(=O)O)CC(=O)O)CCCCN)C(=O)NC(CC(=O)N)C(=O)NC(CC6=CC=CC=C6)C(=O)NC(CO)C(=O)NC(CC7=CC=CC=C7)C(=O)N)CC(C)C)CCCCN)CC8=CC=CC=C8)CC(C)C)CCCCN)CO)CCCCN)CC9=CNC%10=CC=CC=C%109)CC%11=CNC%12=CC=CC=C%12%11)CC%13=CC=CC=C%13)CCC(=O)O CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC2CSSCC3C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(CSSCC(C(=O)N1)NC(=O)CN)C(=O)NC(C(=O)N4CCCC4C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3)CCCCN)CC(C)C)CCCCN)CCCNC(=N)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C5CCCN5C(=O)C(NC2=O)CC(=O)N)CC(=O)N)CC(=O)O)CC(=O)O)CCCCN)C(=O)NC(CC(=O)N)C(=O)NC(CC6=CC=CC=C6)C(=O)NC(CO)C(=O)NC(CC7=CC=CC=C7)C(=O)N)CC(C)C)CCCCN)CC8=CC=CC=C8)CC(C)C)CCCCN)CO)CCCCN)CC9=CNC%10=CC=CC=C%109)CC%11=CNC%12=CC=CC=C%12%11)CC%13=CC=CC=C%13)CCC(=O)O is peptide that acts as a mechanosensitive ion channel blocker. It is also related to or classified as polypeptide  .
The molecule C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)([O-])[O-])O is a 2'-deoxyribonucleoside 5'-monophosphate(2-) obtained by deprotonation of the phosphate OH groups of 2'-deoxyguanosine 5'-monophosphate (dGMP). It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a 2'-deoxynucleoside 5'-monophosphate(2-) and a purine 2'-deoxyribonucleoside 5'-phosphate(2-). It is a conjugate base of a 2'-deoxyguanosine 5'-monophosphate.
The molecule CC(=O)[C@@H](O)COP([O-])([O-])=O CC(=O)[C@@H](O)COP([O-])([O-])=O is the dianion resulting from the removal of the two acidic protons from the phosphate group of (2S)-2-hydroxy-3-oxobutyl phosphate. It is also related to or classified as organophosphate oxoanion .
The molecule C(C(=O)[C@H](C(=O)O)O)O is the 3-dehydro derivative of L-threonic acid. It is a ketoaldonic acid, a dihydroxy monocarboxylic acid and a 3-oxo monocarboxylic acid. It derives from a L-threonic acid. It is a conjugate acid of a (R)-2,4-dihydroxy-3-oxobutanoate. It is an enantiomer of a (S)-2,4-dihydroxy-3-oxobutanoic acid.
The molecule CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H]1NC(C)=O CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H]1NC(C)=O is A linear amino trisaccharide consisting of three N-acetyl-beta-D-galactosamine residues linked (1->4). It is also related to or classified as galactosamine oligosaccharide , amino trisaccharide .
The molecule O=C1N[C@H](C(=O)N[C@@H]1CC2=CC=C(O)C=C2)CC(C)C O=C1N[C@H](C(=O)N[C@@H]1CC2=CC=C(O)C=C2)CC(C)C is Cyclo(D-Tyr-L-Leu). Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O)CO)COS(=O)(=O)O)O)O is a linear amino trisaccharide consisting of an alpha-sialyl residue linked (2->3) to an O-6-sulfated beta-D-galactosyl residue that in turn is linked (1->4) to an N-acetyl-beta-D-glucosaminyl residue at the reducing end. It has a role as an epitope. It is an amino trisaccharide, a glucosamine oligosaccharide and an oligosaccharide sulfate.
The molecule C1=C(C=C(C2=C1OC(=C(C2=O)OC)C3=CC(=C(C(=C3)OC)OC)OC)O)[O-] C1=C(C=C(C2=C1OC(=C(C2=O)OC)C3=CC(=C(C(=C3)OC)OC)OC)O)[O-] is major microspecies at pH 7.3. It is also related to or classified as flavonoid oxoanion .
The molecule [C@H]1([C@H]([C@H](C[C@H]1O)O)C/C=C\CCCC(OC(C)C)=O)CCC(CCCCC)=O [C@H]1([C@H]([C@H](C[C@H]1O)O)C/C=C\CCCC(OC(C)C)=O)CCC(CCCCC)=O is 13,14-dihydro-15-keto PGF2alpha isopropyl ester. Its functional parent is 13,14-dihydro-15-keto-PGF2alpha . It is also related to or classified as ketone  . It is also related to or classified as isopropyl ester  . It is also related to or classified as prostaglandins Falpha  .
The molecule CS(O)(=O)=O.[H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@H](CN2C)C(=O)N[C@]1(C)O[C@]2(O)N([C@@H](Cc3ccccc3)C(=O)N3CCC[C@@]23[H])C1=O CS(O)(=O)=O.[H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@H](CN2C)C(=O)N[C@]1(C)O[C@]2(O)N([C@@H](Cc3ccccc3)C(=O)N3CCC[C@@]23[H])C1=O is the methanesulfonic acid salt of dihydroergotamine, a semisynthetic ergot alkaloid with weaker oxytocic and vasoconstrictor properties than ergotamine. Both the mesylate and the tartrate salts are used for the treatment of migraine and orthostatic hypotension. It has the role of non-narcotic analgesic . It has the role of serotonergic agonist . It has the role of vasoconstrictor agent . It is also related to or classified as methanesulfonate salt .
The molecule CC(=O)C(O)COP(O)(O)=O CC(=O)C(O)COP(O)(O)=O is 2-hydroxy-3-oxobutyl phosphate. It has the role of Saccharomyces cerevisiae metabolite . It has the role of Escherichia coli metabolite . It is also related to or classified as secondary alpha-hydroxy ketone  . It is also related to or classified as oxoalkyl phosphate , hydroxyalkyl phosphate .
The molecule CC[C@H](C)C(=O)NC1=NC=C(N=C1CCCN=C(N)N)C2=CNC3=CC=CC=C32 is a member of pyrazines, a member of guanidines and a Cypridina luciferin. It has a role as a member of oxidized luciferins. It is a conjugate base of an oxidized Cypridina luciferin(1+).
The molecule C=1(C2=CC(=C(C(=C2)OC)O)OC)OC3=C(C(=O)C1OC)C(O)=CC(=C3)[O-] C=1(C2=CC(=C(C(=C2)OC)O)OC)OC3=C(C(=O)C1OC)C(O)=CC(=C3)[O-] is major microspecies at pH 7.3. It is also related to or classified as flavonoid oxoanion .
The molecule OCC(COC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)O OCC(COC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)O is A fatty acid ester resulting from the formal condensation of the hydroxy group at position-1 of glycerol with the carboxy group of (15Z)-tetracosenoic acid. Its functional parent is glycerol . Its functional parent is (15Z)-tetracosenoic acid . It is also related to or classified as fatty acid ester  . It is also related to or classified as 1-monoglyceride  .
The molecule C=1C(=CC=CC1[C@H](C[NH2+]C)O)O C=1C(=CC=CC1[C@H](C[NH2+]C)O)O is an organic cation obtained by protonation of the secondary amino function of phenylephrine. It is a conjugate acid of phenylephrine . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule C/C(=C\\CC/C(=C/CC1C(=CC(=O)O1)CO)/CO)/CC[C@@H]2[C@@](CCCC2(C)C)(C)O is a sesterterpenoid isolated from the marine sponge Aplysinopsis digitata that exhibits cytotoxicity against P388 mouse leukemia cells. It has a role as a metabolite and an antineoplastic agent. It is a sesterterpenoid, a primary alcohol, a tertiary alcohol and a butenolide.
The molecule [H+].[H+].OC(C(CC([O-])=O)C([O-])=O)C([O-])=O [H+].[H+].OC(C(CC([O-])=O)C([O-])=O)C([O-])=O is isocitrate(1-). It is a conjugate acid of isocitrate(2-) . It is also related to or classified as tricarboxylic acid monoanion .
The molecule C12=C(OC(C3=CC=C(OC)C=C3)=C(C1=O)OC)C=C([O-])C=C2O C12=C(OC(C3=CC=C(OC)C=C3)=C(C1=O)OC)C=C([O-])C=C2O is major microspecies at pH 7.3. It is also related to or classified as flavonoid oxoanion .
The molecule C(CCCCCCCCCCCCC)CCCCCCCCCC(OCC(O)CO)=O C(CCCCCCCCCCCCC)CCCCCCCCCC(OCC(O)CO)=O is A fatty acid ester resulting from the formal condensation of the hydroxy group at position-1 of glycerol with the carboxy group of tetracosanoic acid. It has the role of plant metabolite . Its functional parent is glycerol . Its functional parent is tetracosanoic acid . It is also related to or classified as fatty acid ester  . It is also related to or classified as 1-monoglyceride  .
The molecule CCCCCCCCCCCCCCCCCCC(C)C CCCCCCCCCCCCCCCCCCC(C)C is A branched alkane consisting of icosane bearing a single methyl substituent at position 2. It is also related to or classified as alkane  .
The molecule C1=CC(=CC=C1C(=O)O)Cl is a monochlorobenzoic acid carrying a chloro substituent at position 4. It has a role as a bacterial xenobiotic metabolite. It derives from a benzoic acid. It is a conjugate acid of a 4-chlorobenzoate.
The molecule C1(C(C=CC1=O)CC([O-])=O)C/C=C\CC C1(C(C=CC1=O)CC([O-])=O)C/C=C\CC is A 5-oxo monocarboxylic acid anion obtained by deprotonation of the carboxy group of any diastereomer of 4,5-didehydrojasmonic acid; major species at pH 7.3. It is also related to or classified as jasmonic acid anion  .
The molecule [Ca++].[H][C@@]1(C[C@H]2CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC([O-])=O)[C@H](O)[C@@H]2O)O[C@@]1([H])[C@@H](C)[C@H](C)O.[H][C@@]1(C[C@H]2CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC([O-])=O)[C@H](O)[C@@H]2O)O[C@@]1([H])[C@@H](C)[C@H](C)O [Ca++].[H][C@@]1(C[C@H]2CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC([O-])=O)[C@H](O)[C@@H]2O)O[C@@]1([H])[C@@H](C)[C@H](C)O.[H][C@@]1(C[C@H]2CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC([O-])=O)[C@H](O)[C@@H]2O)O[C@@]1([H])[C@@H](C)[C@H](C)O is the anhydrous form of the calcium salt of mupirocin. The dihydrate form is used as an antibacterial drug for the treatment of skin infections. It has the role of antibacterial drug . It has the role of protein synthesis inhibitor . It is also related to or classified as organic calcium salt .
The molecule N[C@H](Cc1ccc(O)c(c1)-c1cc(C[C@@H](N)C(O)=O)ccc1O)C(O)=O N[C@H](Cc1ccc(O)c(c1)-c1cc(C[C@@H](N)C(O)=O)ccc1O)C(O)=O is DD-dityrosine. It is also related to or classified as dityrosine  . It is also related to or classified as D-tyrosine derivative .
The molecule ClC1=CC=C(C2=N[C@H](C=3N(C=4SC(=C(C42)C)C)C(=NN3)C)CC(=O)NC5=CC=C(O)C=C5)C=C1 ClC1=CC=C(C2=N[C@H](C=3N(C=4SC(=C(C42)C)C)C(=NN3)C)CC(=O)NC5=CC=C(O)C=C5)C=C1 is 6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide, 4-(4-chlorophenyl)-n-(4-hydroxyphenyl)-2,3,9-trimethyl-, (6s)-. It is also related to or classified as organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule C12=C(OC(C3=CC=C(O)C=C3)=C(C1=O)OC)C=C([O-])C=C2O C12=C(OC(C3=CC=C(O)C=C3)=C(C1=O)OC)C=C([O-])C=C2O is major microspecies at pH 7.3. It is also related to or classified as flavonoid oxoanion .
The molecule CC/C=C/C=C/C=C\\C=C/CCCCC(=O)CCC(=O)O is a polyunsaturated fatty acid that is (9Z,11Z,13E,15E)-octadecatetraenoic acid carrying an oxo substituent at position 4. It has a role as a marine metabolite. It is an oxo fatty acid, a polyunsaturated fatty acid and a long-chain fatty acid.
The molecule OS(=O)(=O)c1ccc2ccccc2c1 OS(=O)(=O)c1ccc2ccccc2c1 is A naphthalenesulfonic acid in which the sulfo group is linked to position 2 of the naphthalene ring. It has the role of xenobiotic . It has the role of environmental contaminant . It is also related to or classified as naphthalenesulfonic acid .
The molecule [H]C(=O)NC(Cc1ccc(O)c(c1)-c1cc(CC(NC([H])=O)C(O)=O)ccc1O)C(O)=O [H]C(=O)NC(Cc1ccc(O)c(c1)-c1cc(CC(NC([H])=O)C(O)=O)ccc1O)C(O)=O is N,N'-diformyldityrosine. It has the role of Saccharomyces cerevisiae metabolite . Its functional parent is dityrosine . It is also related to or classified as biphenyls , N-formyl amino acid .
The molecule [H]C(CS(O)=O)=O [H]C(CS(O)=O)=O is an organosulfinic acid that is methanesulfinic acid in which one of the methyl hydrogens has been replaced by a formyl group. It is a conjugate acid of 2-sulfinoacetaldehyde(1-) . It is also related to or classified as organosulfinic acid  . It is also related to or classified as alpha-CH2-containing aldehyde  .
The molecule C(CCCC(CCCC(C=C)=C)C)(CCCC(C)C)C C(CCCC(CCCC(C=C)=C)C)(CCCC(C)C)C is A diterpene that is 3-methylidenehexadec-1-ene substituted at positions 7, 11 and 15 by a methyl group. It has the role of antimicrobial agent . It has the role of anti-inflammatory agent . It has the role of plant metabolite . It has the role of algal metabolite . It is also related to or classified as alkene  . It is also related to or classified as diterpene  .
The molecule [C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)O[C@H]2[C@@H]([C@@H](C(=CO2)C(OC)=O)CC=O)C=C [C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)O[C@H]2[C@@H]([C@@H](C(=CO2)C(OC)=O)CC=O)C=C is an iridoid monoterpenoid that is acetaldehyde in which on of the hydrogens of the methyl group has been replaced by a 2-(beta-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-4-yl group which is substituted at positions 3 and 5 by a vinyl and a methoxycarbonyl group, respectively (the 2S,3R,4S stereoisomer). It has the role of plant metabolite . It is also related to or classified as aldehyde  . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as methyl ester  .   It is also related to or classified as enoate ester  . It is also related to or classified as pyrans , secoiridoid glycoside .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCCCCCCCC(C)C)O)O is a N-acyl-4-hydroxy-15-methylhexadecasphinganine in which the acyl group has 25 carbons and 0 double bonds. It derives from a 15-methylhexadecaphytosphingosine.
The molecule [S@](=O)(C=1C2=NC=C(O)C3=C2N(C=4C=CC=CC34)C(C1)=O)C [S@](=O)(C=1C2=NC=C(O)C3=C2N(C=4C=CC=CC34)C(C1)=O)C is 9-deoxycurtisin. It is also related to or classified as alkaloid  . It is also related to or classified as organic heterotetracyclic compound .
The molecule ClC1=C(O)C(Cl)=CC(=C1)C(=O)NC(C(=O)O)CC2NC(C(=O)O)(C(O)C(N)C(=O)O)CC2 ClC1=C(O)C(Cl)=CC(=C1)C(=O)NC(C(=O)O)CC2NC(C(=O)O)(C(O)C(N)C(=O)O)CC2 is Kaitocephalin. Its functional parent is N-benzoylglycine . It is also related to or classified as N-acylglycine  .
The molecule [H]C(CS([O-])=O)=O [H]C(CS([O-])=O)=O is an organosulfinate oxoanion resulting from the deprotonation of the sulfino group of sulfinoacetaldehyde. The major species at pH 7.3. It is also related to or classified as organosulfinate oxoanion  .
The molecule OC1CC(=O)c2c(O)cc(O)cc2C1 OC1CC(=O)c2c(O)cc(O)cc2C1 is A cyclic ketone that is 3,4-dihydronaphthalen-1(2H)-one substituted by hydroxy groups at positions 3, 6, and 8. It is also related to or classified as phenols  . It is also related to or classified as cyclic ketone , beta-hydroxy ketone , aromatic ketone .
The molecule N[C@H](CSSC[C@@H](N)C(O)=O)C(O)=O N[C@H](CSSC[C@@H](N)C(O)=O)C(O)=O is the D-enantiomer of cystine. It has the role of EC 1.2.1.11 (aspartate-semialdehyde dehydrogenase) inhibitor . It is also related to or classified as cystine  .
The molecule CNC[C@H](O)c1cccc(O)c1 CNC[C@H](O)c1cccc(O)c1 is A member of the class of the class of phenylethanolamines that is (1R)-2-(methylamino)-1-phenylethan-1-ol carrying an additional hydroxy substituent at position 3 on the phenyl ring. It has the role of sympathomimetic agent . It has the role of alpha-adrenergic agonist . It has the role of cardiotonic drug . It has the role of protective agent . It has the role of mydriatic agent . It has the role of vasoconstrictor agent . It has the role of nasal decongestant .  It is also related to or classified as phenols  . It is also related to or classified as phenylethanolamines , secondary amino compound .
The molecule N[C@@H](CCC(=O)N[C@@H](CSS)C(=O)NCC(O)=O)C(O)=O N[C@@H](CCC(=O)N[C@@H](CSS)C(=O)NCC(O)=O)C(O)=O is A Glu-Cys-Gly tripeptide derivative of glutathione distinguished by an additional sulfhydryl substituent on the S of Cys. Its functional parent is glutathione . It is a conjugate acid of S-sulfanylglutathionate(1-) . It is also related to or classified as S-substituted glutathione  . It is also related to or classified as tripeptide  . It is also related to or classified as L-cysteine derivative .
The molecule S1C=2C(=NC(C)(C)C(C2CCC3=C4SC5=C(C(=O)C(C)(C)N[C@@]5(C)CC4=NC(C3=O)(C)C)C)=O)C[C@]6(C1=C(C(=O)C(C)(C)N6)C)C S1C=2C(=NC(C)(C)C(C2CCC3=C4SC5=C(C(=O)C(C)(C)N[C@@]5(C)CC4=NC(C3=O)(C)C)C)=O)C[C@]6(C1=C(C(=O)C(C)(C)N6)C)C is (-)-xylaridine D. It is also related to or classified as organosulfur heterocyclic compound , organic heteromonocyclic ring .
The molecule C[Se+](C)C is an organic cation consisting of three methyl groups covalently bound to a central selenium atom. It has a role as a human xenobiotic metabolite. It derives from a dimethylselenide.
The molecule O[C@H]1[C@@H](O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1OP([O-])([O-])=O O[C@H]1[C@@H](O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1OP([O-])([O-])=O is octaanion of 1D-myo-inositol 3,4,5,6-tetrakisphosphate arising from global deprotonation of the acidic phosphate OH groups. It has the role of human metabolite . It is also related to or classified as inositol phosphate oxoanion .
The molecule COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O is A member of the class of  coumarins that is scopoletin attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has the role of plant metabolite . Its functional parent is scopoletin . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as coumarins , monosaccharide derivative .
The molecule C(\C/C=C\C/C=C\C/C=C\CC)=C\C/C=C\C/C=C\CCC(=O)OCC(CO)O C(\C/C=C\C/C=C\C/C=C\CC)=C\C/C=C\C/C=C\CCC(=O)OCC(CO)O is A 1-monoglyceride resulting from the formal condensation of the carboxy group of 1-all-cis-docosa-4,7,10,13,16,19-hexaenoic acid with one of the primary hydroxy groups of glycerol. Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid . It is also related to or classified as 1-monoglyceride  .
The molecule [NH3+]C(CSSCC([NH3+])C([O-])=O)C([O-])=O [NH3+]C(CSSCC([NH3+])C([O-])=O)C([O-])=O is an amino acid zwitterion that is the tautomer of cystine. It has the role of mouse metabolite . It has the role of human metabolite . It is also related to or classified as amino-acid zwitterion .
The molecule CC[C@]1(C[C@@H](C2=C([C@H]1C(=O)[O-])C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)[NH3+])O is a zwitterion obtained by transfer of a proton from the carboxy to the primary amino group of 10-carboxy-13-deoxydaunorubicin; major species at pH 7.3. It is a tautomer of a 10-carboxy-13-deoxydaunorubicin.