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CHEBI:191768 - Quercetin 3-(4''-acetylrhamnoside) 7-rhamnoside

Default Structure
ChEBI IDCHEBI:191768
ChEBI NameQuercetin 3-(4''-acetylrhamnoside) 7-rhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H32O16
Net Charge0
Average Mass636.559
Monoisotopic Mass636.16903
SMILESCC(=O)OC1C(C)OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(OC4OC(C)C(O)C(O)C4O)cc(O)c3c2=O)C(O)C1O
InChIInChI=1S/C29H32O16/c1-9-19(34)21(36)23(38)28(40-9)43-13-7-16(33)18-17(8-13)44-26(12-4-5-14(31)15(32)6-12)27(20(18)35)45-29-24(39)22(37)25(10(2)41-29)42-11(3)30/h4-10,19,21-25,28-29,31-34,36-39H,1-3H3
InChIKeyHXCHGMPJLNBHOE-UHFFFAOYSA-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-(4''-acetylrhamnoside) 7-rhamnoside (CHEBI:191768) is a flavonoids (CHEBI:72544)
Quercetin 3-(4''-acetylrhamnoside) 7-rhamnoside (CHEBI:191768) is a glycoside (CHEBI:24400)
IUPAC Name 
[6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] acetate
Manual XrefsDatabases
HMDB0039333HMDB