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Secondary metabolite: Gallicynoic acid H
Summary
Physicochemical properties
Drug-likeness properties
ADMET properties
Descriptors
Summary
Molecular formula:
C16H28O4
SMILES:
CCCC[C@H](C#C[C@H](CCCCCCCC(=O)O)O)O
InChI:
InChI=1S/C16H28O4/c1-2-3-9-14(17)12-13-15(18)10-7-5-4-6-8-11-16(19)20/h14-15,17-18H,2-11H2,1H3,(H,19,20)/t14-,15+/m1/s1
InChIKey:
VAEJVKIWYRYFDG-CABCVRRESA-N
Chemical classification
Kingdom:
Organic compounds
Super class:
Lipids and lipid-like molecules
Class:
Fatty Acyls
Sub class:
Fatty acids and conjugates
Synonymous chemical names:
gallicynoic acid h
External chemical identifiers:
CID_24800368
;
NPATLAS_NPA006789
;
CHEMSPIDER_78440967
;
ZINC_ZINC000138652809
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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