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 |
C1[C@@H]([C@@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2([C@H](CC1)[C@H](CC2)[C@@]1(C[C@@H]([C@@H](C(O1)(C)C)O)O)C(=O)O)C)C)C)(CO)C)O |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Gentianaceae | Gentiana rigescens | Ref. |
|
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zoom in
Organism | Gentiana rigescens | Reference | Xu,J.Nat.Prod.,70,(2007),880 |
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