Paeoniflorin
From Metabolomics.JP
(Difference between revisions)
(New page: {{Hierarchy|{{PAGENAME}}}} {{Metabolite |SysName=(1aR,2S,3aR,5R,5aR,5bS)-5b-[(Benzoyloxy)methyl]tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl .beta...) |
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{{Metabolite | {{Metabolite | ||
| − | |SysName=(1aR,2S,3aR,5R,5aR,5bS)-5b-[(Benzoyloxy)methyl]tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl | + | |SysName=(1aR,2S,3aR,5R,5aR,5bS)-5b-[(Benzoyloxy)methyl]tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl beta-D-glucopyranoside |
| − | |Common Name=&&Peoniflorin&&[1aR-( | + | |Common Name=&&Peoniflorin&&[1aR-(1aalpha,2beta,3aalpha,5alpha,5aalpha,5balpha)]-5b-[(Benzoyloxy)methyl]tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl beta-D-glucopyranoside&&2,5-Methano-1H-3,4-dioxacyclobuta[cd]pentalene beta-D-glucopyranoside deriv.&&Paeoniflorin&& |
|CAS=23180-57-6 | |CAS=23180-57-6 | ||
|KNApSAcK= | |KNApSAcK= | ||
}} | }} | ||
Latest revision as of 16:12, 18 December 2009
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 23180-57-6 |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | Paeoniflorin.mol |
| Peoniflorin | |
|---|---|
| |
| Structural Information | |
| Systematic Name | (1aR,2S,3aR,5R,5aR,5bS)-5b-[(Benzoyloxy)methyl]tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl beta-D-glucopyranoside |
| Common Name |
|
| Symbol | |
| Formula | C23H28O11 |
| Exact Mass | 480.163161738 |
| Average Mass | 480.46182000000005 |
| SMILES | OCC(C(O)6)OC(C(O)C(O)6)OC(C4)(C(C)31)C(COC(=O)c(c5 |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | |
| Chromatograms | |
