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CHEBI:190101 - (R)-Byakangelicin 2'-glucoside

ChEBI IDCHEBI:190101
ChEBI Name(R)-Byakangelicin 2'-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H28O12
Net Charge0
Average Mass496.465
Monoisotopic Mass496.15808
SMILESCOc1c2ccoc2c(OCC(OC2OC(CO)C(O)C(O)C2O)C(C)(C)O)c2oc(=O)ccc12
InChIInChI=1S/C23H28O12/c1-23(2,29)13(34-22-17(28)16(27)15(26)12(8-24)33-22)9-32-21-19-11(6-7-31-19)18(30-3)10-4-5-14(25)35-20(10)21/h4-7,12-13,15-17,22,24,26-29H,8-9H2,1-3H3
InChIKeySTMLLOJFOZJAEK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
(R)-Byakangelicin 2'-glucoside (CHEBI:190101) is a psoralens (CHEBI:26369)
IUPAC Name 
9-[3-hydroxy-3-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]-4-methoxyuro[3,2-g]chromen-7-one
Manual XrefsDatabases
HMDB0039070HMDB