| Name |
Gabunamine |
| Formula |
C42H50N4O5 |
| Mw |
690.37812074 |
| CAS RN |
66086-99-5 |
| C_ID |
C00001729
, 
|
| InChIKey |
PIUQMWWFBLVDEE-RMBQOKDVNA-N |
| InChICode |
InChI=1S/C42H50N4O5/c1-6-23-14-22-19-42(41(48)51-5)38-26(12-13-46(21-22)39(23)42)28-16-29(35(49-3)18-33(28)45-38)30-15-27-24(7-2)20-43-34(36(27)40(47)50-4)17-31-25-10-8-9-11-32(25)44-37(30)31/h7-11,16,18,22-23,27,30,34,36,39,43-45H,6,12-15,17,19-21H2,1-5H3/b24-7-/t22-,23+,27-,30-,34-,36-,39+,42-/m1/s1 |
| SMILES |
c12c([nH]c3c1cccc3)[C@H](C[C@H]1[C@H]([C@@H](C2)NC/C/1=C/C)C(=O)OC)c1cc2c(cc1OC)[nH]c1c2CCN2[C@@H]3[C@]1(C[C@@H](C[C@@H]3CC)C2)C(=O)OC |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp Secologanin |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apocynaceae | Tabernaemontana johnstonii | Ref. |
|
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