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7-Methylthioheptyl glucosinolate
MNXM10426 is deprecated and here replaced by MNXM726207
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM726207 |
 |
| reference | chebi:80988 |
| formula | C15H29NO9S3 |
| global charge | 0 |
| mol weight | 463.596 |
| InChIKey | SJHVRBSHKTUXLG-LFHLZQBKSA-N |
| InChI | InChI=1S/C15H29NO9S3/c1-26-8-6-4-2-3-5-7-11(16-25-28(21,22)23)27-15-14(20)13(19)12(18)10(9-17)24-15/h10,12-15,17-20H,2-9H2,1H3,(H,21,22,23)/t10-,12-,13+,14-,15+/m1/s1 |
| SMILES | CSCCCCCCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C15H29NO9S3/c1-26-8-6-4-2-3-5-7-11(16-25-28(21,22)23)27-15-14(20)13(19)12(18)10(9-17)24-15/h10,12-15,17-20H,2-9H2,1H3,(H,21,22,23)/b16-11?/t10-,12-,13+,14-,15+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][S:26][CH2:8][CH2:6][CH2:4][CH2:2][CH2:3][CH2:5][CH2:7][C:11](=[N:16][O:25][S:28]([OH:21])(=[O:22])=[O:23])[S:27][C@H:15]1[C@H:14]([OH:20])[C@@H:13]([OH:19])[C@H:12]([OH:18])[C@@H:10]([CH2:9][OH:17])[O:24]1 |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 1 |
| in models (compartimentalized) |
0 |
|