| SpectraBase Spectrum ID |
8PX18JiPmkv |
| Name |
1-S-[(1E)-2-(1H-Indol-3-yl)-N-(sulfooxy)ethanimidoyl]-1-thiohexopyranose |
| Alternate Name(s) |
(1Z)-2-(1H-indol-3-yl)-N-sulfoxy-thioacetimidic acid (3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl) ester
3-IMG
3-Indolylmethyl glucosinolate
Glucobrassicin
(1Z)-2-(1H-indol-3-yl)-N-sulfooxyethanimidothioic acid [3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-(1H-indol-3-yl)-N-sulfooxyethanimidothioate
[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1Z)-2-(1H-indol-3-yl)-N-sulfooxy-ethanimidothioate |
| CAS Registry Number |
4356-52-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H20N2O9S2 |
| InChI |
InChI=1S/C16H20N2O9S2/c19-7-11-13(20)14(21)15(22)16(26-11)28-12(18-27-29(23,24)25)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-17,19-22H,5,7H2,(H,23,24,25)/b18-12+ |
| InChIKey |
DNDNWOWHUWNBCK-LDADJPATSA-N |
| Molecular Weight |
448.461 g/mol |
| SMILES |
OC1C(C(S\C(Cc2c[nH]c3c2cccc3)=N/OS(=O)(=O)O)OC(C1O)CO)O |
| SPLASH |
splash10-0a4l-9610000000-89df7c355e2fc7550a49 |
| Source of Spectrum |
W5-1989-8545-1 |
| Wiley ID |
1386874 |
![1-S-[(1E)-2-(1H-Indol-3-yl)-N-(sulfooxy)ethanimidoyl]-1-thiohexopyranose](/api/spectrum/8PX18JiPmkv/structure.png?h=300&w=458 "1-S-[(1E)-2-(1H-Indol-3-yl)-N-(sulfooxy)ethanimidoyl]-1-thiohexopyranose")
