Secondary metabolite:Hexahydro-3-methylenebenzofuran-2(3H)-one



EOCID002940
Summary

sCentInDB Chemical identifier: EOCID002940

Chemical name: Hexahydro-3-methylenebenzofuran-2(3H)-one

Molecular formula: C9H12O2

SMILES: C=C1C(=O)OC2C1CCCC2

InChI: InChI=1S/C9H12O2/c1-6-7-4-2-3-5-8(7)11-9(6)10/h7-8H,1-5H2

InChIKey: JZULHXPIDKRFAY-UHFFFAOYSA-N


Chemical classification

Kingdom: Organic compounds

Superclass: Organoheterocyclic compounds

Class: Benzofurans

Subclass:


Synonymous chemical name(s):
3-methylenehexahydro-1-benzofuran-2(3h)-one


External chemical identifier(s):
CID:86069, CHEMBL276649, CHEMSPIDER:77649, SURECHEMBL:SCHEMBL10192292


Spectrabase ID:
EPk2TT4vTp2


Chemical structure download

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
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