KNApSAcK Metabolite C00007793
Metabolite
KNApSAcK Entry
| id | C00007793 |
|---|---|
| Name | Glucobenzsisaustricin / 2-Benzoyloxy-1-ethylethyl glucosinolate |
| CAS RN | |
| Standard InChI | InChI=1S/C18H25NO11S2/c1-2-10(9-28-17(24)11-6-4-3-5-7-11)16(19-30-32(25,26)27)31-18-15(23)14(22)13(21)12(8-20)29-18/h3-7,10,12-15,18,20-23H,2,8-9H2,1H3,(H,25,26,27)/b19-16-/t10?,12?,13-,14?,15+,18+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C18H25NO11S2/c1-2-10(9-28-17(24)11-6-4-3-5-7-11)16(19-30-32(25,26)27)31-18-15(23)14(22)13(21)12(8-20)29-18/h3-7,10,12-15,18,20-23H,2,8-9H2,1H3,(H,25,26,27) |
Cluster
| Phytochemical cluster | No. 77 |
|---|---|
| KCF-S cluster | No. 158 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
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Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 1 |
Family
| family name | count |
|---|---|
| Brassicaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Sisymbrium austriacum | 203569 | Brassicaceae | rosids | Viridiplantae |