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CHEBI:75318 - petunidin

ChEBI IDCHEBI:75318
ChEBI Namepetunidin
Stars
DefinitionAn anthocyanidin cation that is flavylium bearing five hydroxy substituents at positions 3, 3', 4', 5 and 7 as well as a methoxy substituent at position 5'.
Last Modified25 November 2024
SubmitterSteve
DownloadsMolfile
FormulaC16H13O7
Net Charge+1
Average Mass317.273
Monoisotopic Mass317.06558
SMILESCOc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc(O)c1O
InChIInChI=1S/C16H12O7/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)/p+1
InChIKeyAFOLOMGWVXKIQL-UHFFFAOYSA-O
Wikipedia
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
petunidin (CHEBI:75318) has role plant metabolite (CHEBI:76924)
petunidin (CHEBI:75318) is a 5-hydroxyanthocyanidin (CHEBI:140277)
petunidin (CHEBI:75318) is conjugate acid of petunidin(1−) (CHEBI:193101)
Incoming Relation(s)
petunidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:75709) has functional parent petunidin (CHEBI:75318)
petunidin 3-O-(6-O-(Z)-4-coumaroyl-β-D-glucoside) (CHEBI:75708) has functional parent petunidin (CHEBI:75318)
petunidin 3-O-β-D-glucoside (CHEBI:31985) has functional parent petunidin (CHEBI:75318)
petunidin(1−) (CHEBI:193101) is conjugate base of petunidin (CHEBI:75318)
IUPAC Name 
2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxychromenium
Synonyms  Source
2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1-benzopyryliumChEBI
PtChEBI
3,3',4',5,7-pentahydroxy-5'-methoxyflavyliumChEBI
petunidolChEBI
Manual XrefsDatabases
LMPK12010005LIPID MAPS
CPD-15003MetaCyc
PetunidinWikipedia
HMDB0003173HMDB
FDB002755FooDB
P5MPDBeChem
Registry NumbersSources
Reaxys:3914715Reaxys
CAS:13270-60-5HMDB
Citations