2-O-Acetylarbutin (CHEBI:168767)

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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	2-O-Acetylarbutin

ChEBI ID	CHEBI:168767

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H18O8

Net Charge

Average Mass

314.290

Monoisotopic Mass

314.10017

InChI

InChI=1S/C14H18O8/c1-7(16)20-13-12(19)11(18)10(6-15)22-14(13)21-9-4-2-8(17)3-5-9/h2-5,10-15,17-19H,6H2,1H3

InChIKey

QLDACILJKOVPDG-UHFFFAOYSA-N

SMILES

O1C(C(O)C(O)C(OC(=O)C)C1OC2=CC=C(O)C=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	2-O-Acetylarbutin (CHEBI:168767) is a glycoside (CHEBI:24400)

IUPAC Name

[4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl] acetate