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econdary metabolites
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Secondary metabolite: Pleurone
Summary
Physicochemical properties
Drug-likeness properties
ADMET properties
Descriptors
Summary
Molecular formula:
C4H2O4
SMILES:
O=c1ccoc(=O)o1
InChI:
InChI=1S/C4H2O4/c5-3-1-2-7-4(6)8-3/h1-2H
InChIKey:
AHSQQRNJXRQXFN-UHFFFAOYSA-N
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=c1ccoc(=O)o1
Scaffold Graph/Node level:
OC1CCOC(O)O1
Scaffold Graph level:
CC1CCCC(C)C1
Chemical classification
Kingdom:
Organic compounds
Super class:
Organic acids and derivatives
Class:
Organic carbonic acids and derivatives
Sub class:
Carbonic acid diesters
Synonymous chemical names:
pleurone
External chemical identifiers:
CID_53483158
;
NPATLAS_NPA009602
;
CHEMSPIDER_28288975
;
ZINC_ZINC000199657111
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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