BMMCACDEk003
From Metabolomics.JP
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 : BMMCAC aliphatic cycle 脂肪族環 (47 pages) : BMMCACDE cyclohexadiene シクロヘキサジエン (11 pages)
IDs and Links | |
---|---|
LipidBank | [1] |
LipidMaps | [2] |
CAS | 121697-59-4 |
KEGG | C06731 |
KNApSAcK | |
CDX file | |
MOL file | BMMCACDEk003.mol |
1,2-Dihydroxy-6-methylcyclohexa-3,5-dienecarboxylate | |
---|---|
Structural Information | |
Systematic Name | 1,6-Dihydroxy-2-methylcyclohexa-2,4-diene-1-carboxylic acid |
Common Name |
|
Symbol | |
Formula | C8H10O4 |
Exact Mass | 170.0579 |
Average Mass | 170.1626 |
SMILES | CC(=C1)C(O)(C(O)=O)C(O)C=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