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CHEBI:169311 - 3,5,7-trihydroxy-2-(1-hydroxy-3-methoxy-4-oxocyclohexyl)-6-methoxy-4H-chromen-4-one

ChEBI IDCHEBI:169311
ChEBI Name3,5,7-trihydroxy-2-(1-hydroxy-3-methoxy-4-oxocyclohexyl)-6-methoxy-4H-chromen-4-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H18O9
Net Charge0
Average Mass366.322
Monoisotopic Mass366.09508
SMILESCOc1c(O)cc2oc(C3(O)CCC(=O)C(OC)C3)c(O)c(=O)c2c1O
InChIInChI=1S/C17H18O9/c1-24-10-6-17(23,4-3-7(10)18)16-14(22)12(20)11-9(26-16)5-8(19)15(25-2)13(11)21/h5,10,19,21-23H,3-4,6H2,1-2H3
InChIKeyYLAXJZOBAGFNGE-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)
3,5,7-trihydroxy-2-(1-hydroxy-3-methoxy-4-oxocyclohexyl)-6-methoxy-4H-chromen-4-one (CHEBI:169311) is a chromones (CHEBI:23238)
IUPAC Name 
3,5,7-trihydroxy-2-(1-hydroxy-3-methoxy-4-oxocyclohexyl)-6-methoxychromen-4-one
Manual XrefsDatabases
74852349ChemSpider
HMDB0128768HMDB