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CHEBI:5728 - hirsutidin

ChEBI IDCHEBI:5728
ChEBI Namehirsutidin
Stars
DefinitionAn anthocyanidin cation consisting of benzopyrylium with hydroxy substituents at positions 3 and 5, a methoxy group at position 7 and a 4-hydroxy-3,5-dimethoxyphenyl group at position 2.
Last Modified29 March 2018
DownloadsMolfile
FormulaC18H17O7
Net Charge+1
Average Mass345.327
Monoisotopic Mass345.09688
SMILESCOc1cc(O)c2cc(O)c(-c3cc(OC)c(O)c(OC)c3)[o+]c2c1
InChIInChI=1S/C18H16O7/c1-22-10-6-12(19)11-8-13(20)18(25-14(11)7-10)9-4-15(23-2)17(21)16(5-9)24-3/h4-8H,1-3H3,(H2-,19,20,21)/p+1
InChIKeyJGPCLGHKWGCWNO-UHFFFAOYSA-O
Wikipedia
Species of MetaboliteComponentSourceComments
Catharanthus roseus (ncbitaxon:4058) - PubMed (12628396)
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)
hirsutidin (CHEBI:5728) has role plant metabolite (CHEBI:76924)
hirsutidin (CHEBI:5728) is a 5-hydroxyanthocyanidin (CHEBI:140277)
IUPAC Name 
3,5-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxy-1-benzopyran-1-ium
Manual XrefsDatabases
C08643KEGG COMPOUND
C00006619KNApSAcK
LMPK12010421LIPID MAPS
HirsutidinWikipedia
Registry NumbersSources
Reaxys:6118726Reaxys
CAS:4092-66-4KEGG COMPOUND
Citations