| Name |
NIC-3
Hyoscyamilactol |
| Formula |
C28H40O6 |
| Mw |
472.28248901 |
| CAS RN |
38788-88-4 |
| C_ID |
C00050296
, 
|
| InChIKey |
WYDFSSCXUGNICP-CFGMZUGKNA-N |
| InChICode |
InChI=1S/C28H40O6/c1-14(18-13-25(3)27(5,34-25)23(30)32-18)15-8-9-16-20-17(10-12-24(15,16)2)26(4)19(29)7-6-11-28(26,31)22-21(20)33-22/h6-7,14-18,20-23,30-31H,8-13H2,1-5H3/t14-,15+,16-,17-,18+,20-,21-,22-,23+,24+,25-,26-,27+,28-/m0/s1 |
| SMILES |
C1[C@H]2[C@H]([C@H]3[C@](C1)([C@H](CC3)[C@@H]([C@H]1C[C@]3([C@@]([C@@H](O1)O)(O3)C)C)C)C)[C@H]1[C@@H]([C@@]3([C@@]2(C(=O)C=CC3)C)O)O1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Exodeconus maritimus | Ref. |
|
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