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CHEBI:169464 - 4-Methoxyphlorizin

ChEBI IDCHEBI:169464
ChEBI Name4-Methoxyphlorizin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26O10
Net Charge0
Average Mass450.440
Monoisotopic Mass450.15260
SMILESCOc1ccc(CCC(=O)c2c(O)cc(O)cc2O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)cc1
InChIInChI=1S/C22H26O10/c1-30-13-5-2-11(3-6-13)4-7-14(25)18-15(26)8-12(24)9-16(18)31-22-21(29)20(28)19(27)17(10-23)32-22/h2-3,5-6,8-9,17,19-24,26-29H,4,7,10H2,1H3/t17?,19-,20+,21?,22-/m1/s1
InChIKeyGOTAZLUFLPHQJU-BLQBXXAQSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
4-Methoxyphlorizin (CHEBI:169464) is a flavonoids (CHEBI:72544)
4-Methoxyphlorizin (CHEBI:169464) is a glycoside (CHEBI:24400)
IUPAC Name 
1-[2,4-dihydroxy-6-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-methoxyphenyl)propan-1-one
Manual XrefsDatabases
24846096ChemSpider
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