| Name |
Isoorientin 4'-O-glucoside-2''-O-(E)-caffeate |
| Formula |
C36H36O19 |
| Mw |
772.18507897 |
| CAS RN |
64763-01-5 |
| C_ID |
C00006330
, 
|
| InChIKey |
QWGBDMJTBSBVRW-FWJXBALZNA-N |
| InChICode |
InChI=1S/C36H36O19/c37-11-23-29(46)32(49)35(55-25(44)6-2-13-1-4-15(39)16(40)7-13)34(52-23)27-19(43)10-22-26(30(27)47)18(42)9-21(51-22)14-3-5-20(17(41)8-14)53-36-33(50)31(48)28(45)24(12-38)54-36/h1-10,23-24,28-29,31-41,43,45-50H,11-12H2/b6-2+/t23-,24+,28+,29+,31-,32-,33-,34-,35-,36+/m0/s1 |
| SMILES |
O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@@H](O)[C@H](O)C(CO)O[C@H]1c1c(O)cc2oc(-c3ccc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c(O)c3)cc(=O)c2c1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Gentianaceae | Gentiana punctata  | Ref. |
|
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