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CHEBI:191432 - Quercetin 3-(6'''-p-coumarylglucosyl)(1->2)-rhamnoside 7-glucoside

ChEBI IDCHEBI:191432
ChEBI NameQuercetin 3-(6'''-p-coumarylglucosyl)(1->2)-rhamnoside 7-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H46O23
Net Charge0
Average Mass918.807
Monoisotopic Mass918.24299
SMILESCC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(OC4OC(CO)C(O)C(O)C4O)cc(O)c3c2=O)C(OC2OC(COC(=O)/C=C/c3ccc(O)cc3)C(O)C(O)C2O)C(O)C1O
InChIInChI=1S/C42H46O23/c1-15-28(49)34(55)39(65-41-36(57)33(54)30(51)25(63-41)14-58-26(48)9-4-16-2-6-18(44)7-3-16)42(59-15)64-38-31(52)27-22(47)11-19(60-40-35(56)32(53)29(50)24(13-43)62-40)12-23(27)61-37(38)17-5-8-20(45)21(46)10-17/h2-12,15,24-25,28-30,32-36,39-47,49-51,53-57H,13-14H2,1H3/b9-4+
InChIKeySHRUKDVTMUBNTL-RUDMXATFSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Quercetin 3-(6'''-p-coumarylglucosyl)(1->2)-rhamnoside 7-glucoside (CHEBI:191432) is a flavonoids (CHEBI:72544)
Quercetin 3-(6'''-p-coumarylglucosyl)(1->2)-rhamnoside 7-glucoside (CHEBI:191432) is a glycoside (CHEBI:24400)
IUPAC Name 
[6-[2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0040485HMDB