KNApSAcK Metabolite C00026213
Metabolite
KNApSAcK Entry
| id | C00026213 |
|---|---|
| Name | Ligularizine / 12-Epipetasitenine acetate / O-Acetyl-12-epifukinotoxin |
| CAS RN | 90364-92-4 |
| Standard InChI | InChI=1S/C21H29NO8/c1-12-10-21(13(2)29-21)19(26)28-16-7-9-22(5)8-6-15(17(16)24)11-27-18(25)20(12,4)30-14(3)23/h6,12-13,16H,7-11H2,1-5H3/b15-6-/t12-,13-,16-,20+,21-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C21H29NO8/c1-12-10-21(13(2)29-21)19(26)28-16-7-9-22(5)8-6-15(17(16)24)11-27-18(25)20(12,4)30-14(3)23/h6,12-13,16H,7-11H2,1-5H3 |
Cluster
| Phytochemical cluster | No. 2 |
|---|---|
| KCF-S cluster | No. 838 |
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 |
|---|---|---|---|---|
| Ligularia dentata Hara | 4239 | Asteraceae | asterids | Viridiplantae |