| Name |
Inermiside I
(-)-Inermiside I |
| Formula |
C47H76O17 |
| Mw |
912.508251 |
| CAS RN |
487050-21-5 |
| C_ID |
C00037300
, 
|
| InChIKey |
USNOOKRGSWSEEX-VNGOHXMFNA-N |
| InChICode |
InChI=1S/C47H76O17/c1-21-30(49)33(52)37(56)40(60-21)64-42(58)47-15-10-23-22(24(47)18-43(2,3)16-17-47)8-9-28-45(23,6)13-11-27-44(4,5)29(12-14-46(27,28)7)63-41-38(57)35(54)32(51)26(62-41)20-59-39-36(55)34(53)31(50)25(19-48)61-39/h21,24-41,48-57H,8-20H2,1-7H3/t21-,24+,25-,26-,27+,28+,29+,30-,31-,32-,33+,34+,35+,36-,37-,38-,39-,40+,41+,45+,46-,47-/m1/s1 |
| SMILES |
C1(CC[C@]2([C@@H](C1)C1=C(CC2)[C@]2([C@H](CC1)[C@]1([C@@H](CC2)C([C@H](CC1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(C)C)C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C)(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rubiaceae | Mitragyna inermis  | Ref. |
|
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