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CHEBI:75035 - petunidin chloride

ChEBI IDCHEBI:75035
ChEBI Namepetunidin chloride
Stars
DefinitionAn anthocyanidin chloride that has petunidin as the cationic component.
Secondary ChEBI IDCHEBI:8033
Last Modified25 November 2024
DownloadsMolfile
FormulaC16H13O7.Cl
Net Charge0
Average Mass352.726
Monoisotopic Mass352.03498
SMILESCOc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc(O)c1O.[Cl-]
InChIInChI=1S/C16H12O7.ClH/c1-22-14-3-7(2-11(19)15(14)21)16-12(20)6-9-10(18)4-8(17)5-13(9)23-16;/h2-6H,1H3,(H4-,17,18,19,20,21);1H
InChIKeyQULMBDNPZCFSPR-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
petunidin chloride (CHEBI:75035) has role metabolite (CHEBI:25212)
petunidin chloride (CHEBI:75035) is a anthocyanidin chloride (CHEBI:38696)
IUPAC Name 
2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxychromenium chloride
Synonyms  Source
PetunidinKEGG COMPOUND
3,3',4',5,7-pentahydroxy-5'-methoxyflavylium chlorideHMDB
PetunidolHMDB
Petunidol chlorideHMDB
2-(3,4-Dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium chlorideChemIDplus
Manual XrefsDatabases
C08727KEGG COMPOUND
C00059921KNApSAcK
Registry NumbersSources
Reaxys:3897980Reaxys
CAS:1429-30-7KEGG COMPOUND
CAS:1429-30-7ChemIDplus
Citations