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Secondary metabolite: 4-Oxohex-5-enyl acetate
Summary
Physicochemical properties
Drug-likeness properties
ADMET properties
Descriptors
Summary
Molecular formula:
C8H12O3
SMILES:
C=CC(=O)CCCOC(=O)C
InChI:
InChI=1S/C8H12O3/c1-3-8(10)5-4-6-11-7(2)9/h3H,1,4-6H2,2H3
InChIKey:
RXRUTODEGWRIMM-UHFFFAOYSA-N
Chemical classification
Kingdom:
Organic compounds
Super class:
Organic oxygen compounds
Class:
Organooxygen compounds
Sub class:
Carbonyl compounds
Synonymous chemical names:
4-oxohex-5-enyl acetate
External chemical identifiers:
CID_139588464
;
NPATLAS_NPA019238
;
CHEMSPIDER_78435754
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
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