KNApSAcK Metabolite C00007358
Metabolite
KNApSAcK Entry
| id | C00007358 |
|---|---|
| Name | Glucomalcomiin / 3-Benzoyloxypropyl glucosinolate |
| CAS RN | 75331-11-2 |
| Standard InChI | InChI=1S/C17H23NO11S2/c19-9-11-13(20)14(21)15(22)17(28-11)30-12(18-29-31(24,25)26)7-4-8-27-16(23)10-5-2-1-3-6-10/h1-3,5-6,11,13-15,17,19-22H,4,7-9H2,(H,24,25,26)/b18-12+/t11-,13-,14+,15-,17+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C17H23NO11S2/c19-9-11-13(20)14(21)15(22)17(28-11)30-12(18-29-31(24,25)26)7-4-8-27-16(23)10-5-2-1-3-6-10/h1-3,5-6,11,13-15,17,19-22H,4,7-9H2,(H,24,25,26) |
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 (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Arabidopsis thaliana | 3702 | Brassicaceae | rosids | Viridiplantae |
| Malcomia maritima |