CHEBI:192964 - Quercetin 3-(2''-galloylgalactoside)

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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''-galloylgalactoside)
ChEBI ID CHEBI:192964
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H24O16
Net Charge 0
Average Mass 616.484
Monoisotopic Mass 616.10643
InChI InChI=1S/C28H24O16/c29-8-18-21(37)23(39)26(43-27(40)10-4-15(34)20(36)16(35)5-10)28(42-18)44-25-22(38)19-14(33)6-11(30)7-17(19)41-24(25)9-1-2-12(31)13(32)3-9/h1-7,18,21,23,26,28-37,39H,8H2/t18?,21-,23?,26+,28-/m0/s1
InChIKey PXGWEUQZDRUMRE-RFMYBEOGSA-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)CO
Metabolite of Species Details
Cryptomeria (NCBI:txid3368) Found in needle (BTO:0000917). of strain Cryptomeria fortunei Hooibrenk See: MetaboLights Study
ChEBI Ontology
Outgoing Quercetin 3-(2''-galloylgalactoside) (CHEBI:192964) is a flavonoids (CHEBI:72544)
Quercetin 3-(2''-galloylgalactoside) (CHEBI:192964) is a glycoside (CHEBI:24400)
IUPAC Name
[(2S,3R,5R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
Manual Xrefs Databases
24844798 ChemSpider
LMPK12112071 LIPID MAPS
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