BMMCACCHp014
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) : BMMCACCH cyclohexane シクロヘキサン (22 pages)
IDs and Links | |
---|---|
LipidBank | [1] |
LipidMaps | [2] |
CAS | 15764-81-5 |
KEGG | C04223 |
KNApSAcK | |
CDX file | |
MOL file | BMMCACCHp014.mol |
(+/-) -6-Hydroxy-3-oxo-alpha-ionone | |
---|---|
Structural Information | |
Systematic Name | 4-Hydroxy-3,5,5-trimethyl-4- [(E) -3-oxobut-1-enyl] cyclohex-2-en-1-one |
Common Name |
|
Symbol | |
Formula | C13H18O3 |
Exact Mass | 222.1255 |
Average Mass | 222.2802 |
SMILES | CC(=O)C=CC(O)(C(C)=1)C(C)(C)CC(=O)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