| Name |
S-Sinapylglutathione |
| Formula |
C21H29N3O9S |
| Mw |
499.16245028 |
| CAS RN |
222607-99-0 |
| C_ID |
C00058022
|
| InChIKey |
DGLZNOFFDRHEIV-ALKAVYSUSA-N |
| InChICode |
InChI=1S/C21H29N3O9S/c1-32-15-8-12(9-16(33-2)19(15)28)4-3-7-34-11-14(20(29)23-10-18(26)27)24-17(25)6-5-13(22)21(30)31/h3,7-9,13-14,28H,4-6,10-11,22H2,1-2H3,(H,23,29)(H,24,25)(H,26,27)(H,30,31)/b7-3-/t13-,14-/m0/s1 |
| SMILES |
COc1cc(C/C=CSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)cc(OC)c1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Bromeliaceae | Ananas comosus  | Ref. |
|
|
zoom in
| Organism | Ananas comosus |
|---|
| Reference | Aldrich Library of FT-IR Spectra, 1st edn.,1985, 1, 596A
787D (ir) |
|---|
|
