KNApSAcK Metabolite C00007813
Metabolite
KNApSAcK Entry
| id | C00007813 |
|---|---|
| Name | 3-Hydroxy-6-(methylthio)hexyl glucosinolate |
| CAS RN | |
| Standard InChI | InChI=1S/C14H27NO10S3/c1-26-6-2-3-8(17)4-5-10(15-25-28(21,22)23)27-14-13(20)12(19)11(18)9(7-16)24-14/h8-9,11-14,16-20H,2-7H2,1H3,(H,21,22,23)/b15-10-/t8?,9?,11-,12?,13+,14+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C14H27NO10S3/c1-26-6-2-3-8(17)4-5-10(15-25-28(21,22)23)27-14-13(20)12(19)11(18)9(7-16)24-14/h8-9,11-14,16-20H,2-7H2,1H3,(H,21,22,23) |
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 rhaeticum | 761866 | Brassicaceae | rosids | Viridiplantae |