KNApSAcK Metabolite C00000169
Metabolite
KNApSAcK Entry
| id | C00000169 |
|---|---|
| Name | 1beta,10alpha-Epoxy-8beta-hydroxy-14-acetoxy-4E,11(13)-germacradien-12,6-olide |
| CAS RN | 79384-03-5 |
| Standard InChI | InChI=1S/C22H28O7/c1-6-13(3)20(24)28-17-10-22(11-26-15(5)23)18(29-22)8-7-12(2)9-16-19(17)14(4)21(25)27-16/h6,9,16-19H,4,7-8,10-11H2,1-3,5H3/b12-9+,13-6-/t16-,17-,18-,19+,22-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C22H28O7/c1-6-13(3)20(24)28-17-10-22(11-26-15(5)23)18(29-22)8-7-12(2)9-16-19(17)14(4)21(25)27-16/h6,9,16-19H,4,7-8,10-11H2,1-3,5H3 |
Cluster
| Phytochemical cluster | No. 38 |
|---|---|
| KCF-S cluster | No. 94 |
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 |
|---|---|---|---|---|
| Tithonia rotundifolia | 105388 | Asteraceae | asterids | Viridiplantae |