| Name |
Isobrucein B
isobruceine B |
| Formula |
C23H28O11 |
| Mw |
480.16316174 |
| CAS RN |
53663-03-9 |
| C_ID |
C00003718
, 
|
| InChIKey |
WAYNIXHIORQRDI-KYDIVFRJNA-N |
| InChICode |
InChI=1S/C23H28O11/c1-8-5-11(25)17(27)21(3)10(8)6-12-22-7-32-23(20(30)31-4,18(28)13(26)15(21)22)16(22)14(19(29)34-12)33-9(2)24/h5,10,12-18,26-28H,6-7H2,1-4H3/t10-,12+,13+,14+,15+,16+,17+,18-,21-,22+,23-/m0/s1 |
| SMILES |
C1(=O)C=C([C@H]2[C@]([C@@H]1O)([C@@H]1[C@@]34[C@@H](C2)OC(=O)[C@@H]([C@H]3[C@@]([C@H]([C@@H]1O)O)(OC4)C(=O)OC)OC(=O)C)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Simaroubaceae | Brucea antidysenterica  | Ref. |
|
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