KNApSAcK Metabolite C00002628
Metabolite
KNApSAcK Entry
| id | C00002628 |
|---|---|
| Name | Simplexoside |
| CAS RN | 74061-78-2 |
| Standard InChI | InChI=1S/C26H30O11/c1-31-18-6-12(3-5-17(18)36-26-23(30)22(29)21(28)20(8-27)37-26)24-14-9-33-25(15(14)10-32-24)13-2-4-16-19(7-13)35-11-34-16/h2-7,14-15,20-30H,8-11H2,1H3/t14-,15-,20?,21+,22?,23?,24+,25+,26+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C26H30O11/c1-31-18-6-12(3-5-17(18)36-26-23(30)22(29)21(28)20(8-27)37-26)24-14-9-33-25(15(14)10-32-24)13-2-4-16-19(7-13)35-11-34-16/h2-7,14-15,20-30H,8-11H2,1H3 |
Cluster
| Phytochemical cluster | No. 22 |
|---|---|
| KCF-S cluster | No. 174 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer |
KEGG
| By LinkDB | C10885 |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Acanthaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Justicia simplex | 4190 | Acanthaceae | asterids | Viridiplantae |