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CHEBI:140400 - phloretin glucuronide

ChEBI IDCHEBI:140400
ChEBI Namephloretin glucuronide
Stars
Last Modified9 March 2018
Submittermwilliams
DownloadsMolfile
FormulaC21H22O11
Net Charge0
Average Mass450.396
Monoisotopic Mass450.11621
SMILESO=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C21H22O11/c22-10-4-1-9(2-5-10)3-6-12(24)15-13(25)7-11(23)8-14(15)31-21-18(28)16(26)17(27)19(32-21)20(29)30/h1-2,4-5,7-8,16-19,21-23,25-28H,3,6H2,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1
InChIKeyYFJJAJIWPWXWJJ-ZFORQUDYSA-N
ChEBI Ontology
Outgoing Relation(s)
phloretin glucuronide (CHEBI:140400) is a flavonoids (CHEBI:72544)
phloretin glucuronide (CHEBI:140400) is a glycoside (CHEBI:24400)
Manual XrefsDatabases
HMDB0041768HMDB