| Name |
Isobetanidin |
| Formula |
C18H16N2O8 |
| Mw |
388.0906655 |
| CAS RN |
4934-32-1 |
| C_ID |
C00050877
|
| InChIKey |
IHZXIYZJCOTDEX-FECACGIFNA-N |
| InChICode |
InChI=1S/C18H16N2O8/c21-14-6-9-5-13(18(27)28)20(12(9)7-15(14)22)2-1-8-3-10(16(23)24)19-11(4-8)17(25)26/h1-3,6-7,11,13,21-22H,4-5H2,(H,23,24)(H,25,26)(H,27,28)/t11-,13+/m0/s1 |
| SMILES |
O=COC1=N[C@H](OC=O)CC(/C=CN2c3cc(O)c(O)cc3C[C@@H]2OC=O)=C1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Caryophyllales | Beta vulgaris  | Ref. |
| Plantae | Portulacaceae/Montiaceae | Portulaca oleracea | Ref. |
| Plantae | Portulacaceae/Montiaceae | Portulaca pilosa | Ref. |
|
|
zoom in
| Organism | Beta vulgaris |
|---|
| Reference | https://doi.org/10.1016/j.foodchem.2010.12.081 |
|---|
|
