| Name |
Nigellidine 4-O-sulfite |
| Formula |
C18H18N2O5S |
| Mw |
374.09364243 |
| CAS RN |
1032622-86-8 |
| C_ID |
C00039847
, 
|
| InChIKey |
VSHOGHZRODUJTC-UHFFFAOYSA-N |
| InChICode |
InChI=1S/C18H19N2O5S/c1-12-10-15-17(16(11-12)25-26(22,23)24)18(13-4-6-14(21)7-5-13)20-9-3-2-8-19(15)20/h4-7,10-11,21H,2-3,8-9H2,1H3,(H,22,23,24) |
| SMILES |
c12c(n3n(c1c1ccc(cc1)O)CCCC3)cc(cc2OS(=O)(=O)O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ranunculaceae | Nigella sativa  | Ref. |
|
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