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CHEBI:185236 - Phloretin 2'-O-(6''-O-acetylglucoside)

ChEBI IDCHEBI:185236
ChEBI NamePhloretin 2'-O-(6''-O-acetylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26O11
Net Charge0
Average Mass478.450
Monoisotopic Mass478.14751
SMILESCC(=O)OCC1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)C(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C23H26O11/c1-11(24)32-10-18-20(29)21(30)22(31)23(34-18)33-17-9-14(26)8-16(28)19(17)15(27)7-4-12-2-5-13(25)6-3-12/h2-3,5-6,8-9,18,20-23,25-26,28-31H,4,7,10H2,1H3/t18?,20-,21+,22?,23-/m1/s1
InChIKeyWKDMJJFSCAZJHE-ZLXZQHNHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Phloretin 2'-O-(6''-O-acetylglucoside) (CHEBI:185236) is a flavonoids (CHEBI:72544)
Phloretin 2'-O-(6''-O-acetylglucoside) (CHEBI:185236) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3S,4S,6S)-6-[3,5-dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Manual XrefsDatabases
24846092ChemSpider
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