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CHEBI:188968 - 7-Hydroxy-3',4'-methylenedioxyflavan 7-O-beta-D-glucopyranoside

ChEBI IDCHEBI:188968
ChEBI Name7-Hydroxy-3',4'-methylenedioxyflavan 7-O-beta-D-glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24O9
Net Charge0
Average Mass432.425
Monoisotopic Mass432.14203
SMILESOCC1O[C@@H](Oc2ccc3c(c2)O[C@H](c2ccc4c(c2)OCO4)CC3)C(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C22H24O9/c23-9-18-19(24)20(25)21(26)22(31-18)29-13-4-1-11-2-5-14(30-16(11)8-13)12-3-6-15-17(7-12)28-10-27-15/h1,3-4,6-8,14,18-26H,2,5,9-10H2/t14-,18?,19+,20-,21?,22+/m0/s1
InChIKeyDAAHQQTYFSSUOU-XZYXXRKGSA-N
Species of MetaboliteComponentSourceComments
Staphylococcus Aureus (ncbitaxon:1280) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3859)
ChEBI Ontology
Outgoing Relation(s)
7-Hydroxy-3',4'-methylenedioxyflavan 7-O-beta-D-glucopyranoside (CHEBI:188968) is a flavonoids (CHEBI:72544)
7-Hydroxy-3',4'-methylenedioxyflavan 7-O-beta-D-glucopyranoside (CHEBI:188968) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,4S,5S)-2-[[(2S)-2-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
LMPK12020235LIPID MAPS
24842639ChemSpider