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CHEBI:192951 - Petunidin 3-galactoside

Default Structure
ChEBI IDCHEBI:192951
ChEBI NamePetunidin 3-galactoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H23O12
Net Charge+1
Average Mass479.414
Monoisotopic Mass479.11840
SMILESCOc1cc(-c2[o+]c3cc(O)cc(O)c3cc2OC2OC(CO)C(O)C(O)C2O)cc(O)c1O
InChIInChI=1S/C22H22O12/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27)/p+1
InChIKeyCCQDWIRWKWIUKK-UHFFFAOYSA-O
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS3183) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
Petunidin 3-galactoside (CHEBI:192951) is a anthocyanidin glycoside (CHEBI:71583)
IUPAC Name 
2-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
11312532ChemSpider
HMDB0038093HMDB