CHEBI:75318 - petunidin

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ChEBI Name petunidin
ChEBI ID CHEBI:75318
Definition An 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'.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C16H13O7
Net Charge +1
Average Mass 317.27020
Monoisotopic Mass 317.06558
InChI InChI=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
InChIKey AFOLOMGWVXKIQL-UHFFFAOYSA-O
SMILES COc1cc(cc(O)c1O)-c1[o+]c2cc(O)cc(O)c2cc1O
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing 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 petunidin 3-O-β-D-glucoside (CHEBI:31985) has functional parent petunidin (CHEBI:75318)
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(1−) (CHEBI:193101) is conjugate base of petunidin (CHEBI:75318)
IUPAC Name
2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxychromenium
Synonyms Sources
2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium ChEBI
3,3',4',5,7-pentahydroxy-5'-methoxyflavylium ChEBI
Petunidin chloride KEGG COMPOUND
petunidol ChEBI
Pt ChEBI
Manual Xrefs Databases
C08727 KEGG COMPOUND
CPD-15003 MetaCyc
LMPK12010005 LIPID MAPS
Petunidin Wikipedia
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Registry Numbers Types Sources
1429-30-7 CAS Registry Number KEGG COMPOUND
3914715 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23993625 PubMed citation Europe PMC
24363205 PubMed citation Europe PMC
24483298 PubMed citation Europe PMC
24506267 PubMed citation Europe PMC
24689289 PubMed citation Europe PMC
Last Modified
29 March 2018