| Name |
5-Methoxyglucobrassicin
5-Methyoxy-3-indolylmethylglucosinolate |
| Formula |
C17H22N2O10S2 |
| Mw |
478.0715864 |
| CAS RN |
87593-00-8 |
| C_ID |
C00000131
, 
|
| InChIKey |
VGSOGNUJYYDTSG-MYHJLPKKNA-N |
| InChICode |
InChI=1S/C17H22N2O10S2/c1-27-9-2-3-11-10(5-9)8(6-18-11)4-13(19-29-31(24,25)26)30-17-16(23)15(22)14(21)12(7-20)28-17/h2-3,5-6,12,14-18,20-23H,4,7H2,1H3,(H,24,25,26)/b19-13+/t12-,14-,15+,16-,17+/m1/s1 |
| SMILES |
COc1ccc2[nH]cc(C/C(=N/OS(=O)(=O)O)S[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c2c1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Tyr |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Cruciferae | Brassica oleracea var. botrytis  | Ref. |
| Plantae | Cruciferae | Brassica oleracea var. gongylodes | Ref. |
| Plantae | Cruciferae | Isatis tinctoria Linn | Ref. |
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