KNApSAcK Metabolite C00007795
Metabolite
KNApSAcK Entry
| id | C00007795 |
|---|---|
| Name | Glucobenzosisymbrin / 2-Benzoyloxy-1-methylethyl glucosinolate |
| CAS RN | |
| Standard InChI | InChI=1S/C17H23NO11S2/c1-9(8-27-16(23)10-5-3-2-4-6-10)15(18-29-31(24,25)26)30-17-14(22)13(21)12(20)11(7-19)28-17/h2-6,9,11-14,17,19-22H,7-8H2,1H3,(H,24,25,26)/b18-15-/t9?,11?,12-,13?,14+,17+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C17H23NO11S2/c1-9(8-27-16(23)10-5-3-2-4-6-10)15(18-29-31(24,25)26)30-17-14(22)13(21)12(20)11(7-19)28-17/h2-6,9,11-14,17,19-22H,7-8H2,1H3,(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 |
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CTD
| By CAS RN |
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Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 2 |
Family
| family name | count |
|---|---|
| Brassicaceae | 2 |
List (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Aubrietia deltoidea | 3700 | Brassicaceae | rosids | Viridiplantae |
| Sisymbrium austriacum | 203569 | Brassicaceae | rosids | Viridiplantae |