| Name |
Nummularine S |
| Formula |
C29H36N4O5 |
| Mw |
520.26857029 |
| CAS RN |
120396-83-0 |
| C_ID |
C00028744
, 
|
| InChIKey |
KBOOVCBYCPJVOF-WYMLVPIENA-N |
| InChICode |
InChI=1S/C29H36N4O5/c1-4-18(2)25(30)29(36)33-15-13-24-26(33)28(35)32-22(16-19-8-6-5-7-9-19)27(34)31-14-12-20-17-21(38-24)10-11-23(20)37-3/h5-12,14,17-18,22,24-26H,4,13,15-16,30H2,1-3H3,(H,31,34)(H,32,35)/b14-12+/t18-,22+,24-,25+,26-/m1/s1 |
| SMILES |
CCC(C)C(N)C(=O)N1CCC2Oc3ccc(OC)c(c3)/C=C/NC(=O)C(Cc3ccccc3)NC(=O)C21 |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp Secologanin |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rhamnaceae | Zizyphus nummularia  | Ref. |
|
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