1-(4-hydroxy-6-methoxy-1,7-dimethyl-3-oxo-1,3-dihydroisobenzofuran-1-yl)ethyl acetate (CHEBI:220752)

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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	1-(4-hydroxy-6-methoxy-1,7-dimethyl-3-oxo-1,3-dihydroisobenzofuran-1-yl)ethyl acetate

ChEBI ID	CHEBI:220752

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H18O6

Net Charge

Average Mass

294.303

Monoisotopic Mass

294.11034

InChI

InChI=1S/C15H18O6/c1-7-11(19-5)6-10(17)12-13(7)15(4,21-14(12)18)8(2)20-9(3)16/h6,8,17H,1-5H3/t8-,15-/m0/s1

InChIKey

OUUXKHKKSVDNRE-AYVTZFPOSA-N

SMILES

O=C1O[C@]([C@@H](OC(=O)C)C)(C)C=2C1=C(O)C=C(OC)C2C

Metabolite of Species	Details
Paraphomaspecies (NCBI:txid1755435)	See: PubMed

ChEBI Ontology
Outgoing	1-(4-hydroxy-6-methoxy-1,7-dimethyl-3-oxo-1,3-dihydroisobenzofuran-1-yl)ethyl acetate (CHEBI:220752) is a benzofurans (CHEBI:35259)

IUPAC Name

[(1S)-1-[(1R)-4-hydroxy-6-methoxy-1,7-dimethyl-3-oxo-2-benzouran-1-yl]ethyl] acetate