KNApSAcK Metabolite C00012340
Metabolite
KNApSAcK Entry
| id | C00012340 |
|---|---|
| Name | Scabiolide |
| CAS RN | 20055-57-6 |
| Standard InChI | InChI=1S/C21H28O8/c1-12-6-5-7-15(10-27-14(3)23)9-17(29-20(25)21(4,26)11-22)18-13(2)19(24)28-16(18)8-12/h6,9,16-18,22,26H,2,5,7-8,10-11H2,1,3-4H3/b12-6-,15-9- |
| Standard InChI (Main Layer) | InChI=1S/C21H28O8/c1-12-6-5-7-15(10-27-14(3)23)9-17(29-20(25)21(4,26)11-22)18-13(2)19(24)28-16(18)8-12/h6,9,16-18,22,26H,2,5,7-8,10-11H2,1,3-4H3 |
Cluster
| Phytochemical cluster | No. 38 |
|---|---|
| KCF-S cluster | No. 211 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Asteraceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Centaurea scabiosa | 145517 | Asteraceae | asterids | Viridiplantae |