| Name |
1-Acetylglucobrassicin
1-Acetyl-3-indolylmethyl glucosinolate |
| Formula |
C18H22N2O10S2 |
| Mw |
490.0715864 |
| CAS RN |
103951-50-4 |
| C_ID |
C00000129
, 
|
| InChIKey |
CVTSZCFPPCGEKZ-KBMGTRQZNA-N |
| InChICode |
InChI=1S/C18H22N2O10S2/c1-9(22)20-7-10(11-4-2-3-5-12(11)20)6-14(19-30-32(26,27)28)31-18-17(25)16(24)15(23)13(8-21)29-18/h2-5,7,13,15-18,21,23-25H,6,8H2,1H3,(H,26,27,28)/b19-14-/t13-,15-,16+,17+,18+/m1/s1 |
| SMILES |
c1ccc2c(c1)n(cc2C/C(=N/OS(=O)(=O)O)/S[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Tovariaceae | Tovaria pendula | Ref. |
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