| Name |
Nummularine R |
| Formula |
C33H41N5O5 |
| Mw |
587.31076946 |
| CAS RN |
113836-69-4 |
| C_ID |
C00028743
, 
|
| InChIKey |
ZBSVQPVKCVFMBL-FYWRMAATNA-N |
| InChICode |
InChI=1S/C33H41N5O5/c1-6-20(2)29-31(39)34-15-13-21-17-23(11-12-27(21)42-5)43-28-14-16-38(30(28)32(40)36-29)33(41)26(37(3)4)18-22-19-35-25-10-8-7-9-24(22)25/h7-13,15,17,19-20,26,28-30,35H,6,14,16,18H2,1-5H3,(H,34,39)(H,36,40)/b15-13+/t20-,26-,28-,29+,30+/m0/s1 |
| SMILES |
[C@@H]1(NC(=O)[C@H]2[C@@H](Oc3cc(/C=C/NC1=O)c(cc3)OC)CCN2C(=O)[C@H](Cc1c2c([nH]c1)cccc2)N(C)C)[C@H](CC)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp Secologanin |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rhamnaceae | Zizyphus nummularia  | Ref. |
|
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