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

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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 Quercetin 3-(4''-acetylrhamnoside) 7-rhamnoside
ChEBI ID CHEBI:191768
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H32O16
Net Charge 0
Average Mass 636.559
Monoisotopic Mass 636.16903
InChI InChI=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
InChIKey HXCHGMPJLNBHOE-UHFFFAOYSA-N
SMILES O1C(C(OC(=O)C)C(O)C(O)C1OC=2C(=O)C=3C(OC2C4=CC(O)=C(O)C=C4)=CC(OC5OC(C(O)C(O)C5O)C)=CC3O)C
Metabolite of Species Details
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
HMDB0039333 HMDB
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