CHEBI:75035 - petunidin chloride

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ChEBI Name petunidin chloride
ChEBI ID CHEBI:75035
Definition An anthocyanidin chloride that has petunidin as the cationic component.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anonymous
Secondary ChEBI IDs CHEBI:8033
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Formula C16H13ClO7
Net Charge 0
Average Mass 352.72300
Monoisotopic Mass 352.035
InChI InChI=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
InChIKey QULMBDNPZCFSPR-UHFFFAOYSA-N
SMILES [Cl-].COc1cc(cc(O)c1O)-c1[o+]c2cc(O)cc(O)c2cc1O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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 Sources
2-(3,4-Dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium chloride ChemIDplus
3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium chloride HMDB
Petunidin KEGG COMPOUND
Petunidol HMDB
Petunidol chloride HMDB
Manual Xrefs Databases
C08727 KEGG COMPOUND
HMDB0003173 HMDB
Petunidin Wikipedia
View more database links
Registry Numbers Types Sources
1429-30-7 CAS Registry Number KEGG COMPOUND
1429-30-7 CAS Registry Number ChemIDplus
3897980 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
23419638 PubMed citation Europe PMC
Last Modified
22 August 2013