KNApSAcK Metabolite C00010964
Metabolite
KNApSAcK Entry
| id | C00010964 |
|---|---|
| Name | [1S-[1alpha(E),3(E),5beta,6alpha]]-5-(acetyloxy)-6-(1-methylethyl)-3-[[(2-methyl-1-oxo-2-butenyl)oxy]methyl]-4-oxo-2-cyclohexen-1-yl ester |
| CAS RN | 128988-33-0 |
| Standard InChI | InChI=1S/C22H30O7/c1-8-13(5)21(25)27-11-16-10-17(29-22(26)14(6)9-2)18(12(3)4)20(19(16)24)28-15(7)23/h8-10,12,17-18,20H,11H2,1-7H3/b13-8+,14-9+/t17-,18-,20+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C22H30O7/c1-8-13(5)21(25)27-11-16-10-17(29-22(26)14(6)9-2)18(12(3)4)20(19(16)24)28-15(7)23/h8-10,12,17-18,20H,11H2,1-7H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 5062 |
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 |
|---|---|---|---|---|
| Sphaeranthus bullatus | 81519 | Asteraceae | asterids | Viridiplantae |