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CHEBI:169101 - Osmundalin

ChEBI IDCHEBI:169101
ChEBI NameOsmundalin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O8
Net Charge0
Average Mass290.268
Monoisotopic Mass290.10017
SMILESCC1OC(=O)C=CC1OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C12H18O8/c1-5-6(2-3-8(14)18-5)19-12-11(17)10(16)9(15)7(4-13)20-12/h2-3,5-7,9-13,15-17H,4H2,1H3
InChIKeyKZOPXYPPFZYEHT-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)
Osmundalin (CHEBI:169101) is a glycoside (CHEBI:24400)
IUPAC Name 
2-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydropyran-6-one
Manual XrefsDatabases
HMDB0031304HMDB
4416908ChemSpider