[8]-Paradyl acetate (CHEBI:175458)

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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	[8]-Paradyl acetate

ChEBI ID	CHEBI:175458

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

Submitter	MetaboLights

Supplier Information

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Formula

C21H32O4

Net Charge

Average Mass

348.483

Monoisotopic Mass

348.23006

InChI

InChI=1S/C21H32O4/c1-4-5-6-7-8-9-10-11-19(23)14-12-18-13-15-20(25-17(2)22)21(16-18)24-3/h13,15-16H,4-12,14H2,1-3H3

InChIKey

JYCJDSPNULQUKV-UHFFFAOYSA-N

SMILES

O=C(CCCCCCCCC)CCC1=CC(OC)=C(OC(=O)C)C=C1

ChEBI Ontology
Outgoing	[8]-Paradyl acetate (CHEBI:175458) is a benzoate ester (CHEBI:36054) [8]-Paradyl acetate (CHEBI:175458) is a phenols (CHEBI:33853)

IUPAC Name

[2-methoxy-4-(3-oxododecyl)phenyl] acetate