KNApSAcK Metabolite C00001488
Metabolite
KNApSAcK Entry
| id | C00001488 |
|---|---|
| Name | Sinigrin / Allyl glucosinolate / 2-Phenylethyl glucosinolate |
| CAS RN | 3952-98-5 |
| Standard InChI | InChI=1S/C10H17NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18)/b11-6-/t5?,7-,8?,9+,10+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C10H17NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18) |
Cluster
| Phytochemical cluster | No. 76 |
|---|---|
| KCF-S cluster | No. 46 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer |
KEGG
| By LinkDB | C08427 |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 75 |
Family
| family name | count |
|---|---|
| Brassicaceae | 73 |
| Capparaceae | 2 |