| Name |
Quaternatine |
| Formula |
C22H28N2O4 |
| Mw |
384.2049074 |
| CAS RN |
57499-04-4 |
| C_ID |
C00026022
, 
|
| InChIKey |
DBCVUIBEXPYXAJ-XZEKKSFVNA-N |
| InChICode |
InChI=1S/C22H28N2O4/c1-27-13-4-5-14-15-7-8-24-11-12-3-6-19(25)20(22(26)28-2)16(12)10-18(24)21(15)23-17(14)9-13/h4-5,9,12,16,18-20,23,25H,3,6-8,10-11H2,1-2H3/t12-,16-,18-,19+,20+/m1/s1 |
| SMILES |
c1c(cc2c(c1)c1c([nH]2)[C@@H]2N(CC1)C[C@@H]1[C@@H](C2)[C@@H]([C@H](CC1)O)C(=O)OC)OC |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Tyr Secologanin |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apocynaceae | Alstonia quaternata | Ref. |
|
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