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CHEBI:192869 - Pinocembrin 5-O-glucoside

ChEBI IDCHEBI:192869
ChEBI NamePinocembrin 5-O-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O9
Net Charge0
Average Mass418.398
Monoisotopic Mass418.12638
SMILESO=C1CC(c2ccccc2)Oc2cc(O)cc(OC3OC(CO)C(O)C(O)C3O)c21
InChIInChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-7,13,16,18-23,25-27H,8-9H2
InChIKeyVFPGPPMQCHGMCT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS3183) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
Pinocembrin 5-O-glucoside (CHEBI:192869) is a flavonoids (CHEBI:72544)
Pinocembrin 5-O-glucoside (CHEBI:192869) is a glycoside (CHEBI:24400)
IUPAC Name 
7-hydroxy-2-phenyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Manual XrefsDatabases
LMPK12140137LIPID MAPS
3354696ChemSpider