| Name |
Aurantoside I
(-)-Aurantoside I |
| Formula |
C34H45ClN2O15 |
| Mw |
756.25084649 |
| CAS RN |
845553-24-4 |
| C_ID |
C00042255
, 
|
| InChIKey |
ITJHGHYWTXMLCW-FVTVQESCNA-N |
| InChICode |
InChI=1S/C34H45ClN2O15/c1-16(35)11-9-7-5-4-6-8-10-12-19(38)23-25(42)18(13-22(36)40)37(31(23)46)32-29(26(43)20(39)14-48-32)52-33-28(45)27(44)21(15-49-33)51-34-30(47-3)24(41)17(2)50-34/h4-12,17-18,20-21,24,26-30,32-34,38-39,41,43-45H,13-15H2,1-3H3,(H2,36,40)/b5-4+,8-6+,9-7+,12-10+,16-11-,23-19-/t17-,18+,20-,21-,24-,26-,27-,28+,29-,30+,32-,33+,34-/m1/s1 |
| SMILES |
CO[C@@H]1[C@@H](O[C@@H]2CO[C@@H](O[C@@H]3[C@@H](O)[C@H](O)CO[C@H]3N3C(=O)/C(=C(O)/C=C/C=C/C=C/C=C/C=C(/C)Cl)C(=O)[C@@H]3CC(N)=O)[C@@H](O)[C@@H]2O)O[C@H](C)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Arg L-Asp Secologanin |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Theonella swinhoei | Ref. |
|
|
zoom in
| Organism | Theonella swinhoei |
|---|
| Reference | Ratnayake,J.Nat.Prod.,68,(2005),104 |
|---|
|
