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CHEBI:191664 - Betavulgarin xyloside

ChEBI IDCHEBI:191664
ChEBI NameBetavulgarin xyloside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20O10
Net Charge0
Average Mass444.392
Monoisotopic Mass444.10565
SMILESCOc1c2c(cc3occ(-c4ccccc4OC4OCC(O)C(O)C4O)c(=O)c13)OCO2
InChIInChI=1S/C22H20O10/c1-27-21-16-14(6-15-20(21)31-9-30-15)28-7-11(17(16)24)10-4-2-3-5-13(10)32-22-19(26)18(25)12(23)8-29-22/h2-7,12,18-19,22-23,25-26H,8-9H2,1H3
InChIKeyBKTIRNZJQRNCKX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Betavulgarin xyloside (CHEBI:191664) is a isoflavones (CHEBI:38757)
IUPAC Name 
9-methoxy-7-[2-(3,4,5-trihydroxyoxan-2-yl)oxyphenyl]-[1,3]dioxolo[4,5-g]chromen-8-one
Manual XrefsDatabases
HMDB0041214HMDB
74886492ChemSpider