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Secondary metabolite: Gallicynoic acid G
Summary
Physicochemical properties
Drug-likeness properties
ADMET properties
Descriptors
Summary
Molecular formula:
C12H20O4
SMILES:
CCCC[C@H](C#C[C@H](CCCC(=O)O)O)O
InChI:
InChI=1S/C12H20O4/c1-2-3-5-10(13)8-9-11(14)6-4-7-12(15)16/h10-11,13-14H,2-7H2,1H3,(H,15,16)/t10-,11+/m1/s1
InChIKey:
FFERRNKFKPTEJW-MNOVXSKESA-N
Chemical classification
Kingdom:
Organic compounds
Super class:
Organic acids and derivatives
Class:
Hydroxy acids and derivatives
Sub class:
Medium-chain hydroxy acids and derivatives
Synonymous chemical names:
gallicynoic acid g
External chemical identifiers:
CID_24800367
;
NPATLAS_NPA013737
;
CHEMSPIDER_28288887
;
ZINC_ZINC000138652666
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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