KNApSAcK Metabolite C00007797
Metabolite
KNApSAcK Entry
| id | C00007797 |
|---|---|
| Name | Glucomatronalin / 3,4-dihydroxybenzyl glucosinolate |
| CAS RN | 31297-64-0 |
| Standard InChI | InChI=1S/C14H19NO11S2/c16-5-9-11(19)12(20)13(21)14(25-9)27-10(15-26-28(22,23)24)4-6-1-2-7(17)8(18)3-6/h1-3,9,11-14,16-21H,4-5H2,(H,22,23,24)/b15-10-/t9?,11-,12?,13+,14+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C14H19NO11S2/c16-5-9-11(19)12(20)13(21)14(25-9)27-10(15-26-28(22,23)24)4-6-1-2-7(17)8(18)3-6/h1-3,9,11-14,16-21H,4-5H2,(H,22,23,24) |
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 |
|---|---|
| Akaniaceae | 1 |
| Brassicaceae | 1 |
List (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Bretschneidera sinensis | 28529 | Akaniaceae | rosids | Viridiplantae |
| Hesperis matronalis | 264418 | Brassicaceae | rosids | Viridiplantae |