CHEBI:169408 - Phloroacetophenone 6'-[xylosyl-(1->6)-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 Phloroacetophenone 6'-[xylosyl-(1->6)-glucoside]
ChEBI ID CHEBI:169408
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H30O13
Net Charge 0
Average Mass 490.458
Monoisotopic Mass 490.16864
InChI InChI=1S/C21H30O13/c1-8(22)14-11(30-3)4-9(29-2)5-12(14)33-21-19(28)17(26)16(25)13(34-21)7-32-20-18(27)15(24)10(23)6-31-20/h4-5,10,13,15-21,23-28H,6-7H2,1-3H3
InChIKey BAYBVSSLAYYEKP-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC=2C(=C(OC)C=C(OC)C2)C(=O)C)COC3OCC(O)C(O)C3O
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 Phloroacetophenone 6'-[xylosyl-(1->6)-glucoside] (CHEBI:169408) is a glycoside (CHEBI:24400)
IUPAC Name
1-[2,4-dimethoxy-6-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyphenyl]ethanone
Manual Xref Database
HMDB0032743 HMDB
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