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CHEBI:185888 - Okanin 3,4,3'-trimethyl ether 4'-glucoside

Default Structure
ChEBI IDCHEBI:185888
ChEBI NameOkanin 3,4,3'-trimethyl ether 4'-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H28O11
Net Charge0
Average Mass492.477
Monoisotopic Mass492.16316
SMILESCOc1ccc(/C=C/C(=O)c2ccc(OC3OC(CO)C(O)C(O)C3O)c(OC)c2O)cc1OC
InChIInChI=1S/C24H28O11/c1-31-15-8-5-12(10-17(15)32-2)4-7-14(26)13-6-9-16(23(33-3)19(13)27)34-24-22(30)21(29)20(28)18(11-25)35-24/h4-10,18,20-22,24-25,27-30H,11H2,1-3H3/b7-4+
InChIKeyAMJJFXGJSSDKHJ-QPJJXVBHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Okanin 3,4,3'-trimethyl ether 4'-glucoside (CHEBI:185888) is a flavonoids (CHEBI:72544)
Okanin 3,4,3'-trimethyl ether 4'-glucoside (CHEBI:185888) is a glycoside (CHEBI:24400)
IUPAC Name 
(E)-3-(3,4-dimethoxyphenyl)-1-[2-hydroxy-3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
Manual XrefsDatabases
24845936ChemSpider
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