CHEBI:184843 - (2S)-5,6,7-Trihydroxyflavanone 7-glucoside

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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 (2S)-5,6,7-Trihydroxyflavanone 7-glucoside
ChEBI ID CHEBI:184843
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H22O10
Net Charge 0
Average Mass 434.397
Monoisotopic Mass 434.12130
InChI InChI=1S/C21H22O10/c22-8-14-17(25)19(27)20(28)21(31-14)30-13-7-12-15(18(26)16(13)24)10(23)6-11(29-12)9-4-2-1-3-5-9/h1-5,7,11,14,17,19-22,24-28H,6,8H2/t11-,14?,17+,19-,20?,21+/m0/s1
InChIKey HQIJUYWKHMVGNK-MJRDTYDWSA-N
SMILES O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3O[C@@H](CC(=O)C3=C(O)C2O)C4=CC=CC=C4)CO
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing (2S)-5,6,7-Trihydroxyflavanone 7-glucoside (CHEBI:184843) is a flavonoids (CHEBI:72544)
(2S)-5,6,7-Trihydroxyflavanone 7-glucoside (CHEBI:184843) is a glycoside (CHEBI:24400)
IUPAC Name
(2S)-5,6-dihydroxy-2-phenyl-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Manual Xrefs Databases
24846590 ChemSpider
LMPK12140607 LIPID MAPS
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