| Name |
Grayanotoxin I
Andromedotoxin |
| Formula |
C22H36O7 |
| Mw |
412.2461035 |
| CAS RN |
4720-09-6 |
| C_ID |
C00003434
, 
|
| InChIKey |
NXCYBYJXCJWMRY-XWIZGCFKNA-N |
| InChICode |
InChI=1S/C22H36O7/c1-11(23)29-17-12-6-7-13-20(5,27)14-8-15(24)18(2,3)22(14,28)16(25)9-21(13,17)10-19(12,4)26/h12-17,24-28H,6-10H2,1-5H3/t12-,13+,14+,15+,16-,17+,19-,20-,21+,22+/m1/s1 |
| SMILES |
[C@@H]12[C@]([C@@H](C[C@]34[C@H]([C@@]1(C)O)CC[C@H]([C@@H]3OC(=O)C)[C@](C4)(C)O)O)(C([C@H](C2)O)(C)C)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ericaceae | Kalmia spp. | Ref. |
| Plantae | Ericaceae | Leucothoe grayana | Ref. |
| Plantae | Ericaceae | Rhododendron ferrugineum  | Ref. |
| Plantae | Ericaceae | Rhododendron ponticum | Ref. |
| Plantae | Ericaceae | Rhododendron spp. | Ref. |
|
|
zoom in
| Organism | Kalmia spp. |
|---|
| Reference | Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter52 |
|---|
|
