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CHEBI:168270 - Quercetagetin 3-methyl ether

ChEBI IDCHEBI:168270
ChEBI NameQuercetagetin 3-methyl ether
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H12O8
Net Charge0
Average Mass332.264
Monoisotopic Mass332.05322
SMILESCOc1c(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c2c1=O
InChIInChI=1S/C16H12O8/c1-23-16-14(22)11-10(5-9(19)12(20)13(11)21)24-15(16)6-2-3-7(17)8(18)4-6/h2-5,17-21H,1H3
InChIKeyQZAXKZRZMAXPSF-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)
Quercetagetin 3-methyl ether (CHEBI:168270) is a ether (CHEBI:25698)
Quercetagetin 3-methyl ether (CHEBI:168270) is a flavonoids (CHEBI:72544)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-3-methoxychromen-4-one
Manual XrefsDatabases
LMPK12112984LIPID MAPS
4478546ChemSpider
Registry NumbersSources
CAS:64190-88-1ChemIDplus