CHEBI:169464 - 4-Methoxyphlorizin

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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 4-Methoxyphlorizin
ChEBI ID CHEBI:169464
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H26O10
Net Charge 0
Average Mass 450.440
Monoisotopic Mass 450.15260
InChI InChI=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
InChIKey GOTAZLUFLPHQJU-BLQBXXAQSA-N
SMILES O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C(C(=O)CCC3=CC=C(OC)C=C3)=C(O)C=C(O)C2)CO
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
24846096 ChemSpider
LMPK12120526 LIPID MAPS
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