6-(3-ethenylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:167923)

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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	6-(3-ethenylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI ID	CHEBI:167923

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H16O7

Net Charge

Average Mass

296.275

Monoisotopic Mass

296.08960

InChI

InChI=1S/C14H16O7/c1-2-7-4-3-5-8(6-7)20-14-11(17)9(15)10(16)12(21-14)13(18)19/h2-6,9-12,14-17H,1H2,(H,18,19)

InChIKey

NGQLXNHODWRLDO-UHFFFAOYSA-N

SMILES

O1C(C(O)C(O)C(O)C1OC=2C=C(C=CC2)C=C)C(O)=O

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	6-(3-ethenylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:167923) is a glycoside (CHEBI:24400)

IUPAC Name

6-(3-ethenylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid