| Name |
Isoorientin 3',6''-di-O-glucoside |
| Formula |
C33H40O21 |
| Mw |
772.20620834 |
| CAS RN |
98568-81-1 |
| C_ID |
C00006314
, 
|
| InChIKey |
VHGKNSZMVHWQIV-MSGOFBLQNA-N |
| InChICode |
InChI=1S/C33H40O21/c34-6-16-21(39)26(44)29(47)32(53-16)49-8-18-23(41)25(43)28(46)31(51-18)20-12(38)5-15-19(24(20)42)11(37)4-13(50-15)9-1-2-10(36)14(3-9)52-33-30(48)27(45)22(40)17(7-35)54-33/h1-5,16-18,21-23,25-36,38-48H,6-8H2/t16-,17+,18+,21+,22+,23+,25-,26-,27-,28+,29+,30+,31-,32+,33+/m0/s1 |
| SMILES |
O=c1cc(-c2ccc(O)c(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c2)oc2cc(O)c([C@@H]3OC(CO[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@@H](O)[C@H](O)C3O)c(O)c12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Gentianaceae | Gentiana pedicellata | Ref. |
|
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