CHEBI:190096 - Quercetin 3-(2''-galloylrhamnoside)

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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-(2''-galloylrhamnoside)
ChEBI ID CHEBI:190096
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H24O15
Net Charge 0
Average Mass 600.485
Monoisotopic Mass 600.11152
InChI InChI=1S/C28H24O15/c1-9-20(35)23(38)26(42-27(39)11-5-16(33)21(36)17(34)6-11)28(40-9)43-25-22(37)19-15(32)7-12(29)8-18(19)41-24(25)10-2-3-13(30)14(31)4-10/h2-9,20,23,26,28-36,38H,1H3/t9?,20-,23?,26-,28-/m0/s1
InChIKey KTTNFIOZYNBKEY-OPGIVTQFSA-N
SMILES O1C([C@H](O)C(O)[C@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H]1OC3=C(OC=4C(C3=O)=C(O)C=C(O)C4)C5=CC(O)=C(O)C=C5)C
Metabolite of Species Details
Brassica napus (NCBI:txid3708) Found in flower (BTO:0000469). See: MetaboLights Study
ChEBI Ontology
Outgoing Quercetin 3-(2''-galloylrhamnoside) (CHEBI:190096) is a flavonoids (CHEBI:72544)
Quercetin 3-(2''-galloylrhamnoside) (CHEBI:190096) is a glycoside (CHEBI:24400)
IUPAC Name
[(2S,3S,5R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] 3,4,5-trihydroxybenzoate
Manual Xrefs Databases
24844935 ChemSpider
LMPK12112215 LIPID MAPS
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