CHEBI:169700 - Xanthotoxol glucoside

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Xanthotoxol glucoside
ChEBI ID CHEBI:169700
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H16O9
Net Charge 0
Average Mass 364.306
Monoisotopic Mass 364.07943
InChI InChI=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
InChIKey CXQMYXUCGMYFCD-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC=2C=3OC=CC3C=C4C2OC(=O)C=C4)CO
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
HMDB0038626 HMDB
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