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CHEBI:24796 - indolylmethylglucosinolate
| Formula | C16H20N2O9S2 |
| Net Charge | 0 |
| Average Mass | 448.475 |
| Monoisotopic Mass | 448.06102 |
| SMILES | [H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(S/C(Cc2cnc3ccccc23)=N/OS(=O)(=O)O)[C@]1([H])O |
| 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+/t11-,13-,14+,15-,16+/m1/s1 |
| InChIKey | DNDNWOWHUWNBCK-NMIPTCLMSA-N |
| Roles Classification |
|---|
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| indolylmethylglucosinolate (CHEBI:24796) is a glucosinolate (CHEBI:24279) |
| indolylmethylglucosinolate (CHEBI:24796) is conjugate base of indolylmethylglucosinolic acid (CHEBI:79364) |
| Incoming Relation(s) |
| (Z)-glucobrassicin(1−) (CHEBI:187898) is a indolylmethylglucosinolate (CHEBI:24796) |
| 4-hydroxyglucobrassicin(1−) (CHEBI:62724) is a indolylmethylglucosinolate (CHEBI:24796) |
| 4-methoxyglucobrassicin(1−) (CHEBI:62725) is a indolylmethylglucosinolate (CHEBI:24796) |
| glucobrassicin(1−) (CHEBI:64962) is a indolylmethylglucosinolate (CHEBI:24796) |
| neoglucobrassicin(1−) (CHEBI:64965) is a indolylmethylglucosinolate (CHEBI:24796) |
| sulfoglucobrassicin(1−) (CHEBI:79365) is a indolylmethylglucosinolate (CHEBI:24796) |
| indolylmethylglucosinolic acid (CHEBI:79364) is conjugate acid of indolylmethylglucosinolate (CHEBI:24796) |
| Synonyms | Source |
|---|---|
| indole glucosinolates | ChEBI |
| indolyl glucosinolate | ChEBI |
| indolylglucosinolate | ChEBI |
| indolylmethylglucosinolate | ChEBI |
| indolylmethyl glucosinolate | ChEBI |
| indolylmethylglucosinolates | ChEBI |