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CHEBI:168181 - 7-chloro-2-(1-hydroxy-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl)-3,5,6,8-tetramethoxy-4H-chromen-4-one

ChEBI IDCHEBI:168181
ChEBI Name7-chloro-2-(1-hydroxy-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl)-3,5,6,8-tetramethoxy-4H-chromen-4-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H19ClO9
Net Charge0
Average Mass438.816
Monoisotopic Mass438.07176
SMILESCOC1=CC(O)(c2oc3c(OC)c(Cl)c(OC)c(OC)c3c(=O)c2OC)C=CC1=O
InChIInChI=1S/C20H19ClO9/c1-25-10-8-20(24,7-6-9(10)22)19-18(29-5)13(23)11-14(26-2)16(27-3)12(21)17(28-4)15(11)30-19/h6-8,24H,1-5H3
InChIKeyITMXMBCHENOAEX-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)
7-chloro-2-(1-hydroxy-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl)-3,5,6,8-tetramethoxy-4H-chromen-4-one (CHEBI:168181) is a chromone (CHEBI:72013)
IUPAC Name 
7-chloro-2-(1-hydroxy-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl)-3,5,6,8-tetramethoxychromen-4-one
Manual XrefsDatabases
74854003ChemSpider
HMDB0135841HMDB