LBF19306HP01
From Metabolomics.JP
Upper classes
IDs and Links | |
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LipidBank | DFA8090 |
LipidMaps | LMFA01040028 |
CAS | |
KEGG | {{{KEGG}}} |
KNApSAcK | |
CDX file | |
MOL file | LBF19306HP01.mol |
Structural Information | |
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Systematic Name | 7- [ 3,5-Epidioxy-2- (2-Octenyl) Cyclopentyl ] -5-Hydroperoxy-6-Heptenoic Acid/7- [ 3,5-Epidioxy-2- (2-Octenyl) Cyclopentyl ] -5-Hydroperoxy-6-Heptenoate |
Common Name | |
Symbol | |
Formula | C19H30O6 |
Exact Mass | 354.204238692 |
Average Mass | 354.4379 |
SMILES | C(C2CC=CCCCCC)(O1)CC(C2=CC(OO)CCCC(O)=O)O1 |
Physicochemical Information | |
Melting Point | |
Boiling Point | |
Density | |
Optical Rotation | |
Reflactive Index | |
Solubility | |
Spectral Information | |
Mass Spectra | GC-EI-MS(Me-ester; after reduction and TMS)<<8080>>: m/e=569[M-CH3]; 494[M-HOTMS]; 483[M-(CH2)3COOCH3]; 404[M-2xHOTMS]; 378[494-SMTO=CHCH2]; 367[M-SMTOCH=CHCH=OTMS]; 203[SMTO=CH(CH2)3COOCH3]; 191[SMTO=CHOTMS] |
UV Spectra | |
IR Spectra | |
NMR Spectra | |
Chromatograms |