| Name |
Agrocin 84 |
| Formula |
C22H36N6O16P2 |
| Mw |
702.16630213 |
| CAS RN |
59111-78-3 |
| C_ID |
C00018184
, 
|
| InChIKey |
FIMRCGIHIAIVOL-DJKCMPDWNA-N |
| InChICode |
InChI=1S/C22H36N6O16P2/c1-8(2)13(32)15(34)20(36)27-45(37,38)41-5-9-3-10(30)21(42-9)28-7-25-12-18(23-6-24-19(12)28)26-46(39,40)44-22-16(35)14(33)17(43-22)11(31)4-29/h6-11,13-17,21-22,29-35H,3-5H2,1-2H3,(H2,27,36,37,38)(H2,23,24,26,39,40)/t9-,10-,11+,13+,14-,15-,16+,17-,21+,22-/m0/s1 |
| SMILES |
CC(C)[C@@H](O)[C@H](O)C(=O)NP(=O)(O)OC[C@@H]1C[C@H](O)[C@H](n2cnc3c(NP(=O)(O)OC4O[C@@H]([C@H](O)CO)[C@H](O)[C@H]4O)ncnc32)O1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
Secologanin |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Bacteria | Rhizobiaceae | Agrobacterium radiobacter | Ref. |
|
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