| Name |
Javanicoside I
(-)-Javanicoside I |
| Formula |
C32H42O16 |
| Mw |
682.2472853 |
| CAS RN |
82018-81-5 |
| C_ID |
C00035844
, 
|
| InChIKey |
MCEDXDRMVVMREW-WFCLBVMNNA-N |
| InChICode |
InChI=1S/C32H42O16/c1-11(2)6-17(34)48-22-24-31-10-44-32(24,29(42)43-5)26(40)21(38)23(31)30(4)13(8-16(31)47-27(22)41)12(3)7-14(25(30)39)45-28-20(37)19(36)18(35)15(9-33)46-28/h6-7,12-13,15-16,18-24,26,28,33,35-38,40H,8-10H2,1-5H3/t12-,13-,15+,16+,18-,19-,20+,21+,22+,23+,24+,26-,28+,30-,31+,32-/m0/s1 |
| SMILES |
COC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)C(=O)C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)=C[C@@H](C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]24 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Simaroubaceae | Brucea amarissima (Lour.) Desv.ex B.A.Gomes | Ref. |
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