KNApSAcK Metabolite C00007835
Metabolite
KNApSAcK Entry
| id | C00007835 |
|---|---|
| Name | 4-Methylsulfonyl-3-butenyl glucosinolate |
| CAS RN | |
| Standard InChI | InChI=1S/C12H21NO11S3/c1-26(18,19)5-3-2-4-8(13-24-27(20,21)22)25-12-11(17)10(16)9(15)7(6-14)23-12/h3,5,7,9-12,14-17H,2,4,6H2,1H3,(H,20,21,22)/b5-3+,13-8-/t7?,9-,10?,11+,12+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C12H21NO11S3/c1-26(18,19)5-3-2-4-8(13-24-27(20,21)22)25-12-11(17)10(16)9(15)7(6-14)23-12/h3,5,7,9-12,14-17H,2,4,6H2,1H3,(H,20,21,22) |
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 |
|---|---|---|---|---|
| Raphanus sativus | 3726 | Brassicaceae | rosids | Viridiplantae |