KNApSAcK Metabolite C00022501
Metabolite
KNApSAcK Entry
| id | C00022501 |
|---|---|
| Name | Methyl ent-16-acetoxy-8-oxo-8-desmethyl-6,13E-labdadien-15-oate |
| CAS RN | 88862-13-9 |
| Standard InChI | InChI=1S/C22H32O5/c1-15(23)27-14-16(13-20(25)26-5)7-8-17-18(24)9-10-19-21(2,3)11-6-12-22(17,19)4/h9-10,13,17,19H,6-8,11-12,14H2,1-5H3/b16-13+/t17-,19-,22+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C22H32O5/c1-15(23)27-14-16(13-20(25)26-5)7-8-17-18(24)9-10-19-21(2,3)11-6-12-22(17,19)4/h9-10,13,17,19H,6-8,11-12,14H2,1-5H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 636 |
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 |
|---|---|---|---|---|
| Acritopappus confertus | 4210 | Asteraceae | asterids | Viridiplantae |