| Name |
Gentirigenic acid |
| Formula |
C30H50O7 |
| Mw |
522.35565395 |
| CAS RN |
939791-45-4 |
| C_ID |
C00039260
, 
|
| InChIKey |
UVHCBPZJADNRKK-AYEPCRIQNA-N |
| InChICode |
InChI=1S/C30H50O7/c1-25(2)23(34)19(32)15-30(37-25,24(35)36)18-9-13-28(5)17(18)7-8-21-26(3)12-11-22(33)27(4,16-31)20(26)10-14-29(21,28)6/h17-23,31-34H,7-16H2,1-6H3,(H,35,36)/t17-,18+,19+,20-,21-,22+,23+,26+,27-,28-,29-,30+/m1/s1 |
| SMILES |
CC1(C)O[C@](C(=O)O)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@H](O)[C@](C)(CO)[C@@H]4CC[C@]23C)C[C@H](O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Gentianaceae | Gentiana rigescens  | Ref. |
|
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