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CHEBI:169700 - Xanthotoxol glucoside

ChEBI IDCHEBI:169700
ChEBI NameXanthotoxol glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H16O9
Net Charge0
Average Mass364.306
Monoisotopic Mass364.07943
SMILESO=c1ccc2cc3ccoc3c(OC3OC(CO)C(O)C(O)C3O)c2o1
InChIInChI=1S/C17H16O9/c18-6-9-11(20)12(21)13(22)17(24-9)26-16-14-8(3-4-23-14)5-7-1-2-10(19)25-15(7)16/h1-5,9,11-13,17-18,20-22H,6H2
InChIKeyCXQMYXUCGMYFCD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Xanthotoxol glucoside (CHEBI:169700) is a coumarins (CHEBI:23403)
Xanthotoxol glucoside (CHEBI:169700) is a glycoside (CHEBI:24400)
IUPAC Name 
9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyuro[3,2-g]chromen-7-one
Manual XrefsDatabases
HMDB0038626HMDB