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CHEBI:189815 - Pinocembrin 7-O-rhamnoside

ChEBI IDCHEBI:189815
ChEBI NamePinocembrin 7-O-rhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O8
Net Charge0
Average Mass402.399
Monoisotopic Mass402.13147
SMILESCC1O[C@@H](Oc2cc(O)c3c(c2)OC(c2ccccc2)CC3=O)C(O)[C@@H](O)[C@H]1O
InChIInChI=1S/C21H22O8/c1-10-18(24)19(25)20(26)21(27-10)28-12-7-13(22)17-14(23)9-15(29-16(17)8-12)11-5-3-2-4-6-11/h2-8,10,15,18-22,24-26H,9H2,1H3/t10?,15?,18-,19-,20?,21-/m0/s1
InChIKeyCQMSSODSJYBGIQ-RWGJSGAKSA-N
Species of MetaboliteComponentSourceComments
Sarcophaga peregrina (ncbitaxon:7386) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4102)
ChEBI Ontology
Outgoing Relation(s)
Pinocembrin 7-O-rhamnoside (CHEBI:189815) is a flavonoids (CHEBI:72544)
Pinocembrin 7-O-rhamnoside (CHEBI:189815) is a glycoside (CHEBI:24400)
IUPAC Name 
5-hydroxy-2-phenyl-7-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one
Manual XrefsDatabases
LMPK12140138LIPID MAPS
24846293ChemSpider