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CHEBI:187359 - Tetramethylquercetin 3-rutinoside

ChEBI IDCHEBI:187359
ChEBI NameTetramethylquercetin 3-rutinoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H38O16
Net Charge0
Average Mass666.629
Monoisotopic Mass666.21599
SMILESCOc1cc(OC)c2c(=O)c(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)c(-c3ccc(OC)c(OC)c3)oc2c1
InChIInChI=1S/C31H38O16/c1-12-21(32)24(35)26(37)30(44-12)43-11-19-22(33)25(36)27(38)31(46-19)47-29-23(34)20-17(42-5)9-14(39-2)10-18(20)45-28(29)13-6-7-15(40-3)16(8-13)41-4/h6-10,12,19,21-22,24-27,30-33,35-38H,11H2,1-5H3
InChIKeyMEJNXDYVXPUWEN-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)
Tetramethylquercetin 3-rutinoside (CHEBI:187359) is a flavonoids (CHEBI:72544)
Tetramethylquercetin 3-rutinoside (CHEBI:187359) is a glycoside (CHEBI:24400)
IUPAC Name 
2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
HMDB0039337HMDB