| Name |
6''-O-beta-D-Glucopyranosylipecoside |
| Formula |
C33H45NO17 |
| Mw |
727.26874902 |
| CAS RN |
408363-52-0 |
| C_ID |
C00036639
, 
|
| InChIKey |
NZRIAMCQBSTDCE-VZZFXFIYNA-N |
| InChICode |
InChI=1S/C33H45NO17/c1-4-15-17(8-19-16-9-21(38)20(37)7-14(16)5-6-34(19)13(2)36)18(30(45)46-3)11-47-31(15)51-33-29(44)27(42)25(40)23(50-33)12-48-32-28(43)26(41)24(39)22(10-35)49-32/h4,7,9,11,15,17,19,22-29,31-33,35,37-44H,1,5-6,8,10,12H2,2-3H3/t15-,17+,19-,22-,23-,24-,25-,26+,27+,28-,29-,31+,32-,33+/m1/s1 |
| SMILES |
O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)O)O)O[C@@H]1OC=C([C@H]([C@H]1C=C)C[C@@H]1c2c(CCN1C(=O)C)cc(c(c2)O)O)C(=O)OC |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Tyr Secologanin |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rubiaceae | Cephaelis acuminata Karsten | Ref. |
|
|
zoom in
| Organism | Cephaelis acuminata Karsten |
|---|
| Reference | Itoh,Phytochem.,59,(2002),91 |
|---|
|
