KNApSAcK Metabolite C00036566
Metabolite
KNApSAcK Entry
| id | C00036566 |
|---|---|
| Name | 4'-Acetylcnicin |
| CAS RN | 106310-40-1 |
| Standard InChI | InChI=1S/C22H28O8/c1-12-6-5-7-16(10-23)9-19-20(14(3)22(27)30-19)18(8-12)29-21(26)13(2)17(25)11-28-15(4)24/h6,9,17-20,23,25H,2-3,5,7-8,10-11H2,1,4H3/b12-6-,16-9+/t17-,18-,19+,20+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C22H28O8/c1-12-6-5-7-16(10-23)9-19-20(14(3)22(27)30-19)18(8-12)29-21(26)13(2)17(25)11-28-15(4)24/h6,9,17-20,23,25H,2-3,5,7-8,10-11H2,1,4H3 |
Cluster
| Phytochemical cluster | No. 38 |
|---|---|
| KCF-S cluster | No. 60 |
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 | 2 |
Family
| family name | count |
|---|---|
| Asteraceae | 2 |
List (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Centaurea thessala ssp.attica | 41503 | Asteraceae | asterids | Viridiplantae |
| Centaurea thessala ssp.drakiensis | 41503 | Asteraceae | asterids | Viridiplantae |