CYCLOHEXA-2-5-DIEN-1-ONE))-ACETATE,ALPHA-(4-(4-HYDROXY

Structure

2D structure of CYCLOHEXA-2-5-DIEN-1-ONE))-ACETATE,ALPHA-(4-(4-HYDROXY
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 89104240

Names and identifiers

Name

CYCLOHEXA-2-5-DIEN-1-ONE))-ACETATE,ALPHA-(4-(4-HYDROXY

IUPAC name

4-oxocyclohexa-2,5-dien-1-yl acetate

SMILES

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

General information

Molecular formula

C8H8O3

Molecular weight

152.15 g/mol

Monoisotopic mass

152.0473 Da

Classification

Pathway:
Superclass:
-
Class:
-
Glycoside:
No

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Senecio vulgaris L. subsp. vulgaris leaf -
Forgacs, P., Provost, J., Desconclois, J.F., Jehanno, A., Tiberghien, R., Touche, A., Roquet, F., Godard, F., Pesson, M. (1976). New type of glucose ester from the genus Sencio. C R Acad Sci Ser D, 283, 405-408