Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000570598 | Bronze | MoNA:3216852&Indolylmethyl&glucosinolate |
| CCMSLIB00000565885 | Bronze | MoNA:3389881&Indolylmethyl&glucosinolate |
| CCMSLIB00000570538 | Bronze | MoNA:3245500&Indolylmethyl&glucosinolate |
| CCMSLIB00000570539 | Bronze | MoNA:3244961&Indolylmethyl&glucosinolate |
| CCMSLIB00000570541 | Bronze | MoNA:3246135&Indolylmethyl&glucosinolate |
| CCMSLIB00000570552 | Bronze | MoNA:3218246&Indolylmethyl&glucosinolate |
| CCMSLIB00000570571 | Bronze | MoNA:3216433&Indolylmethyl&glucosinolate |
| CCMSLIB00000570579 | Bronze | MoNA:3215587&Indolylmethyl&glucosinolate |
| CCMSLIB00000570597 | Bronze | MoNA:3217737&Indolylmethyl&glucosinolate |
| CCMSLIB00000570607 | Bronze | MoNA:3216445&Indolylmethyl&glucosinolate |
| CCMSLIB00000570613 | Bronze | MoNA:3216442&Indolylmethyl&glucosinolate |
| CCMSLIB00000573125 | Bronze | MoNA:3387799&Indolylmethyl&glucosinolate |
| CCMSLIB00000573130 | Bronze | MoNA:3389881&Indolylmethyl&glucosinolate |
| CCMSLIB00000573135 | Bronze | MoNA:3389191&Indolylmethyl&glucosinolate |
| CCMSLIB00000574226 | Bronze | MoNA:3216852&Indolylmethyl&glucosinolate |
| CCMSLIB00005753156 | Gold | 3 |
| CCMSLIB00005753277 | Gold | 3 |
| CCMSLIB00005753261 | Gold | 3 |
| CCMSLIB00005753205 | Gold | 3 |
| CCMSLIB00005753038 | Gold | 3 |
| CCMSLIB00005753116 | Gold | 3 |
| CCMSLIB00005753312 | Gold | 3 |
| CCMSLIB00005753160 | Gold | 3 |
| CCMSLIB00005753279 | Gold | 3 |
| CCMSLIB00005753132 | Gold | 3 |
| CCMSLIB00005753063 | Gold | 3 |
| CCMSLIB00005753235 | Gold | 3 |
| CCMSLIB00005753134 | Gold | 3 |
| CCMSLIB00005744830 | Gold | 3 |
| CCMSLIB00000211838 | Gold | 3 |
COMPOUND NPA008867
PROPERTIES
| NPAID | NPA008867 |
|---|---|
| CLUSTER ID | 3739 |
| NODE ID | 2809 |
| NAME | Glucobrassicin |
| FORMULA | C16H20N2O9S2 |
| MOLECULAR WEIGHT (Da) | 448.4750 |
| ACCURATE MASS (Da) | 448.0610 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Unknown-fungus |
| ORIGIN SPECIES | sp. |
| InChIKey | DNDNWOWHUWNBCK-NMIPTCLMSA-N |
| 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 |
| SMILES | C1=CC=C2C(=C1)C(=CN2)C/C(=N\OS(=O)(=O)O)/S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | KUTACEK, M; PROCHAZKA, Z; VERES, K Biogenesis of glucobrassicin, the in vitro precursor of ascorbigen Nature 1962 194 393-394. | ||
|---|---|---|---|
| DOI | 10.1038/194393b0 | PMID | 14460933 |
