BMMCBZ2Pd045

Basic Metabolism Top (代謝トップ)

Molecule Index (化合物索引)

EC classes ( EC分類)

Input New Data (新規入力)

Upper classes : BM Basic Metabolites : BMMC mono- or assembled cycle 単、複合環 : BMMCBZ benzene ring ベンゼン環 :  BMMCBZ2P with 2 substitutions (para) (64 pages)

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	209783-08-4
KEGG	C06645
KNApSAcK	{{{KNApSAcK}}}
CDX file
MOL file	BMMCBZ2Pd045.mol

6-Oxo-2-hydroxy-7- (4'-chlorophenyl) -3,8,8-trichloroocta-2E,4E,7E-
Structural Information
Systematic Name	6-Oxo-2-hydroxy-7- (4'-chlorophenyl) -3,8,8-trichloroocta- (2E,4E,7E) -trienoic acid
Common Name	6-Oxo-2-hydroxy-7- (4'-chlorophenyl) -3,8,8-trichloroocta-2E,4E,7E- trienoate 6-Oxo-2-hydroxy-7- (4'-chlorophenyl) -3,8,8-trichloroocta-2E,4E,7E-trienoic acid
Symbol
Formula	C14H8Cl4O4
Exact Mass	379.9176
Average Mass	382.0217
SMILES	OC(=O)C(O)=C(Cl)C=CC(=O)C(=C(Cl)Cl)c(c1)ccc(Cl)c1
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra
UV Spectra
IR Spectra
NMR Spectra
Chromatograms

Related Atomic Mappings, Enzymes, and Pathways

• 3-Chloro-6- [2,2-dichloro-1- (4-chlorophenyl) ethenyl] benzene-1,2-diol ⇔ this
• this ⇔ 2-Hydroxy-3-chloro-penta-2,4-dienoic acid
• this ⇔ 3,3-Dichloro-2- (4-chlorophenyl) prop-2-enoic acid