| 2D Structure | |
| CID | 656506 |
| IUPAC Name | [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(1H-indol-3-yl)-N-sulfooxyethanimidothioate |
| 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)/t11-,13-,14+,15-,16+/m1/s1 |
| InChI Key | DNDNWOWHUWNBCK-JZYAIQKZSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C16H20N2O9S2 |
| Molecular Weight | 448.5 |
| synonyms | ['Glucobrassicin', '4356-52-9', '3-Indolylmethylglucosinolate', 'DTXSID60963046', 'CHEBI:29028', '3-IMG', 'indol-3-ylmethyl glucosinolate', '1-S-[2-(1H-indol-3-yl)-N-(sulfooxy)ethanimidoyl]-1-thio-beta-D-glucopyranose', '1-S-(2-(1H-indol-3-yl)-N-(sulfooxy)ethanimidoyl)-1-thio-beta-D-glucopyranose', 'RefChem:663099', 'DTXCID601390818', '(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl) (1E)-2-(1H-indol-3-yl)-N-sulfooxyethanimidothioate', 'EA6EH0IU89', 'indolylmethyl glucosinolate', '[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(1H-indol-3-yl)-N-sulfooxyethanimidothioate', 'indol-3-ylmethylglucosinolate', 'C05837', 'SCHEMBL363589', 'orb2813777', 'Glucobrassicin (3-Indolmethyl-GS)', 'NS00094481', 'Q906037'] |
From Pubchem