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CHEBI:169536 - 5-Methoxydurmillone

ChEBI IDCHEBI:169536
ChEBI Name5-Methoxydurmillone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H20O7
Net Charge0
Average Mass408.406
Monoisotopic Mass408.12090
SMILESCOc1c2c(c3occ(-c4ccc5c(c4)OCO5)c(=O)c3c1OC)C=CC(C)(C)O2
InChIInChI=1S/C23H20O7/c1-23(2)8-7-13-19-17(21(25-3)22(26-4)20(13)30-23)18(24)14(10-27-19)12-5-6-15-16(9-12)29-11-28-15/h5-10H,11H2,1-4H3
InChIKeyMYVZRARGAOPFGY-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)
5-Methoxydurmillone (CHEBI:169536) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
3-(1,3-benzodioxol-5-yl)-5,6-dimethoxy-8,8-dimethylpyrano[2,3-h]chromen-4-one
Manual XrefsDatabases
LMPK12050401LIPID MAPS
4226761ChemSpider