MEGASTIGM-7-EN-9-ONE,3-BETA-HYDROXY-5-ALPHA-6-ALPHA-EPOXY

Structure

2D structure of MEGASTIGM-7-EN-9-ONE,3-BETA-HYDROXY-5-ALPHA-6-ALPHA-EPOXY
2D structure
Drag to rotate, scroll to zoom
3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 90899

Names and identifiers

Name

MEGASTIGM-7-EN-9-ONE,3-BETA-HYDROXY-5-ALPHA-6-ALPHA-EPOXY

IUPAC name

(E)-4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-one

SMILES

C1(C2(C(CCC1)(C)O2)C=CC(C)=O)(C)C

General information

Molecular formula

C13H20O2

Molecular weight

208.30 g/mol

Monoisotopic mass

208.1463 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Arabidopsis thaliana (L.) Heynh. leaf -
Nakabayashi, R., Kusano, M., Kobayashi, M., Tohge, T., Yonekura-sakakibara, K., Kogure, N., Yamazaki, M., Kitajima, M., Saito, K., Takayama, H. (2009). Metabolomics-oriented isolation and structure elucidation of 37 compounds including two anthocyanins from Arabidopsis thaliana Phytochemistry, 70(8), 1017-1029 doi:10.1016/j.phytochem.2009.03.021