EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:192036 - Betavulgarin glucoside

ChEBI IDCHEBI:192036
ChEBI NameBetavulgarin glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H22O11
Net Charge0
Average Mass474.418
Monoisotopic Mass474.11621
SMILESCOc1c2c(cc3occ(-c4ccccc4OC4OC(CO)C(O)C(O)C4O)c(=O)c13)OCO2
InChIInChI=1S/C23H22O11/c1-29-22-16-13(6-14-21(22)32-9-31-14)30-8-11(17(16)25)10-4-2-3-5-12(10)33-23-20(28)19(27)18(26)15(7-24)34-23/h2-6,8,15,18-20,23-24,26-28H,7,9H2,1H3
InChIKeyOJVQRMQOMTVQTL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
Betavulgarin glucoside (CHEBI:192036) is a isoflavones (CHEBI:38757)
IUPAC Name 
9-methoxy-7-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-[1,3]dioxolo[4,5-g]chromen-8-one
Manual XrefsDatabases
HMDB0041215HMDB
74886493ChemSpider