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 | |
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LipidBank | [1] |
LipidMaps | [2] |
CAS | 23180-57-6 |
KEGG | {{{KEGG}}} |
KNApSAcK | |
CDX file | |
MOL file | Paeoniflorin.mol |
Peoniflorin | |
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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 |
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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 | |
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Spectral Information | |
Mass Spectra | |
UV Spectra | |
IR Spectra | |
NMR Spectra | |
Chromatograms |