BMMCACXXo005
From Metabolomics.JP
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|SysName=Iridotrial | |SysName=Iridotrial |
Revision as of 09:00, 1 October 2008
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) : BMMCACXX others その他 (4 pages)
IDs and Links | |
---|---|
LipidBank | [1] |
LipidMaps | [2] |
CAS | 69098-42-6 |
KEGG | D00102 |
KNApSAcK | |
CDX file | |
MOL file | BMMCACXXo005.mol |
Structural Information | |
---|---|
Systematic Name | Iridotrial |
Common Name | |
Symbol | |
Formula | C10H14O3 |
Exact Mass | 182.0942 |
Average Mass | 182.2163 |
SMILES | O=CC(C=O)[C@@H](C1)[C@H](C=O)[C@@H](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 |