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CHEBI:140106 - quercetin 5,7,3',4'-tetramethyl ether 3-rutinoside

ChEBI IDCHEBI:140106
ChEBI Namequercetin 5,7,3',4'-tetramethyl ether 3-rutinoside
Stars
Last Modified13 February 2018
Submittermwilliams
DownloadsMolfile
FormulaC31H38O16
Net Charge0
Average Mass666.629
Monoisotopic Mass666.21599
SMILESCOc1cc(OC)c2c(=O)c(O[C@@H]3O[C@H](CO[C@@H]4OC(C)[C@H](O)C(O)[C@@H]4O)[C@@H](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/t12?,19-,21+,22-,24?,25?,26+,27?,30-,31+/m1/s1
InChIKeyMEJNXDYVXPUWEN-JFLWVOHLSA-N
ChEBI Ontology
Outgoing Relation(s)
quercetin 5,7,3',4'-tetramethyl ether 3-rutinoside (CHEBI:140106) is a flavonoids (CHEBI:72544)
quercetin 5,7,3',4'-tetramethyl ether 3-rutinoside (CHEBI:140106) is a glycoside (CHEBI:24400)
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