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CHEBI:168462 - 2-(1,3-dihydroxy-4-oxocyclohexa-2,5-dien-1-yl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one

ChEBI IDCHEBI:168462
ChEBI Name2-(1,3-dihydroxy-4-oxocyclohexa-2,5-dien-1-yl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H16O9
Net Charge0
Average Mass376.317
Monoisotopic Mass376.07943
SMILESCOc1cc2oc(C3(O)C=CC(=O)C(O)=C3)c(OC)c(=O)c2c(O)c1OC
InChIInChI=1S/C18H16O9/c1-24-11-6-10-12(13(21)15(11)25-2)14(22)16(26-3)17(27-10)18(23)5-4-8(19)9(20)7-18/h4-7,20-21,23H,1-3H3
InChIKeySZTKHGWPSFGLKW-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)
2-(1,3-dihydroxy-4-oxocyclohexa-2,5-dien-1-yl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one (CHEBI:168462) is a chromone (CHEBI:72013)
IUPAC Name 
2-(1,3-dihydroxy-4-oxocyclohexa-2,5-dien-1-yl)-5-hydroxy-3,6,7-trimethoxychromen-4-one
Manual XrefsDatabases
74852788ChemSpider
HMDB0130261HMDB