FL3FAAGS0063
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
| − | |SysName=(2R,3S,4S,5R)-4,5-Dihydro-3,4,5'-trihydroxy-5-(hydroxymethyl)-2'-(4-hydroxyphenyl)-spiro[furan-2(3H),8'(9'H)-[4H]furo[2,3-h][1]benzopyran]-4'-one | + | |SysName= (2R,3S,4S,5R) -4,5-Dihydro-3,4,5'-trihydroxy-5- (hydroxymethyl) -2'- (4-hydroxyphenyl) -spiro [ furan-2 (3H) ,8' (9'H) - [ 4H ] furo [ 2,3-h ] [ 1 ] benzopyran ] -4'-one |
| − | |Common Name=&&Pinnatifinoside A&&(2R,3S,4S,5R)-4,5-Dihydro-3,4,5'-trihydroxy-5-(hydroxymethyl)-2'-(4-hydroxyphenyl)-spiro[furan-2(3H),8'(9'H)-[4H]furo[2,3-h][1]benzopyran]-4'-one&& | + | |Common Name=&&Pinnatifinoside A&& (2R,3S,4S,5R) -4,5-Dihydro-3,4,5'-trihydroxy-5- (hydroxymethyl) -2'- (4-hydroxyphenyl) -spiro [ furan-2 (3H) ,8' (9'H) - [ 4H ] furo [ 2,3-h ] [ 1 ] benzopyran ] -4'-one&& |
|CAS=366472-57-3 | |CAS=366472-57-3 | ||
|KNApSAcK=C00013613 | |KNApSAcK=C00013613 | ||
}} | }} | ||
Revision as of 09:00, 25 July 2008
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 366472-57-3 |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | FL3FAAGS0063.mol |
| Pinnatifinoside A | |
|---|---|
| |
| Structural Information | |
| Systematic Name | (2R,3S,4S,5R) -4,5-Dihydro-3,4,5'-trihydroxy-5- (hydroxymethyl) -2'- (4-hydroxyphenyl) -spiro [ furan-2 (3H) ,8' (9'H) - [ 4H ] furo [ 2,3-h ] [ 1 ] benzopyran ] -4'-one |
| Common Name |
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| Symbol | |
| Formula | C21H18O9 |
| Exact Mass | 414.095082174 |
| Average Mass | 414.36222 |
| SMILES | O(c25)CC(C1O)(c2c(c4c(O)c5)OC(=CC4=O)c(c3)ccc(O)c3 |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | |
| Chromatograms | |
Species Information
| Species-Flavonoid Relationship Reported | ||||||||
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