CHEBI:187359 - Tetramethylquercetin 3-rutinoside

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Tetramethylquercetin 3-rutinoside
ChEBI ID CHEBI:187359
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H38O16
Net Charge 0
Average Mass 666.629
Monoisotopic Mass 666.21599
InChI InChI=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
InChIKey MEJNXDYVXPUWEN-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC2=C(OC3=C(C2=O)C(OC)=CC(OC)=C3)C4=CC(OC)=C(OC)C=C4)COC5OC(C(O)C(O)C5O)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
HMDB0039337 HMDB
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