2-(3,4-Dihydroxyphenylethyl)-6-epi-elenaiate (CHEBI:175849)

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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-(3,4-Dihydroxyphenylethyl)-6-epi-elenaiate

ChEBI ID	CHEBI:175849

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H22O8

Net Charge

Average Mass

378.377

Monoisotopic Mass

378.13147

InChI

InChI=1S/C19H22O8/c1-11-14(9-20)13(15(10-27-11)19(24)25-2)8-18(23)26-6-5-12-3-4-16(21)17(22)7-12/h3-4,7,9-11,13-14,21-22H,5-6,8H2,1-2H3

InChIKey

DEBZOPZQKONWTK-UHFFFAOYSA-N

SMILES

O1C(C(C(CC(OCCC2=CC(O)=C(O)C=C2)=O)C(=C1)C(OC)=O)C=O)C

ChEBI Ontology
Outgoing	2-(3,4-Dihydroxyphenylethyl)-6-epi-elenaiate (CHEBI:175849) is a alcohol (CHEBI:30879) 2-(3,4-Dihydroxyphenylethyl)-6-epi-elenaiate (CHEBI:175849) is a phenols (CHEBI:33853)

IUPAC Name

methyl 4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-3-ormyl-2-methyl-3,4-dihydro-2H-pyran-5-carboxylate