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CHEBI:187022 - Quercetin 5,3',4'-trimethyl ether 3-galactosyl-(1->2)-rhamnoside-7-rhamnoside

ChEBI IDCHEBI:187022
ChEBI NameQuercetin 5,3',4'-trimethyl ether 3-galactosyl-(1->2)-rhamnoside-7-rhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H46O20
Net Charge0
Average Mass798.744
Monoisotopic Mass798.25824
SMILESCOc1ccc(-c2oc3cc(O[C@@H]4OC(C)[C@H](O)C(O)[C@@H]4O)cc(OC)c3c(=O)c2O[C@@H]2OC(C)[C@H](O)C(O)[C@@H]2O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)cc1OC
InChIInChI=1S/C36H46O20/c1-12-22(38)26(42)29(45)34(50-12)52-15-9-18(49-5)21-19(10-15)53-31(14-6-7-16(47-3)17(8-14)48-4)32(25(21)41)55-36-33(28(44)23(39)13(2)51-36)56-35-30(46)27(43)24(40)20(11-37)54-35/h6-10,12-13,20,22-24,26-30,33-40,42-46H,11H2,1-5H3/t12?,13?,20?,22-,23-,24+,26?,27-,28?,29-,30?,33-,34-,35-,36-/m0/s1
InChIKeySPHYILLAWJQCEK-HJXDNURLSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Quercetin 5,3',4'-trimethyl ether 3-galactosyl-(1->2)-rhamnoside-7-rhamnoside (CHEBI:187022) is a flavonoids (CHEBI:72544)
Quercetin 5,3',4'-trimethyl ether 3-galactosyl-(1->2)-rhamnoside-7-rhamnoside (CHEBI:187022) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[(2S,3S,5R)-4,5-dihydroxy-6-methyl-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dimethoxyphenyl)-5-methoxy-7-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
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