KNApSAcK Metabolite C00007851
Metabolite
KNApSAcK Entry
| id | C00007851 |
|---|---|
| Name | 4-oxopentyl glucosinolate / 3-(Methylcarbonyl)propyl glucosinolate |
| CAS RN | |
| Standard InChI | InChI=1S/C12H21NO10S2/c1-6(15)3-2-4-8(13-23-25(19,20)21)24-12-11(18)10(17)9(16)7(5-14)22-12/h7,9-12,14,16-18H,2-5H2,1H3,(H,19,20,21)/b13-8-/t7?,9-,10?,11+,12+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C12H21NO10S2/c1-6(15)3-2-4-8(13-23-25(19,20)21)24-12-11(18)10(17)9(16)7(5-14)22-12/h7,9-12,14,16-18H,2-5H2,1H3,(H,19,20,21) |
Cluster
| Phytochemical cluster | No. 76 |
|---|---|
| KCF-S cluster | No. 46 |
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 | 1 |
Family
| family name | count |
|---|---|
| Brassicaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Erysimum allionii | 65352 | Brassicaceae | rosids | Viridiplantae |