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CHEBI:186068 - Apuleirin

ChEBI IDCHEBI:186068
ChEBI NameApuleirin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20O9
Net Charge0
Average Mass404.371
Monoisotopic Mass404.11073
SMILESCOc1cc2oc(-c3cc(O)c(OC)c(OC)c3)c(OC)c(=O)c2c(OC)c1O
InChIInChI=1S/C20H20O9/c1-24-12-8-11-14(19(27-4)15(12)22)16(23)20(28-5)17(29-11)9-6-10(21)18(26-3)13(7-9)25-2/h6-8,21-22H,1-5H3
InChIKeyPUQUTQSJJJMRPS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Apuleirin (CHEBI:186068) is a ether (CHEBI:25698)
Apuleirin (CHEBI:186068) is a flavonoids (CHEBI:72544)
IUPAC Name 
6-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,5,7-trimethoxychromen-4-one
Manual XrefsDatabases
24843652ChemSpider
LMPK12110620LIPID MAPS