KNApSAcK Metabolite C00022398
Metabolite
KNApSAcK Entry
| id | C00022398 |
|---|---|
| Name | Espinosanolide 2-methylbutyrate |
| CAS RN | 126771-06-0 |
| Standard InChI | InChI=1S/C25H36O6/c1-6-15(2)22(28)31-19-14-17(21(26)27)18(9-8-16-10-13-30-23(16)29)25(5)12-7-11-24(3,4)20(19)25/h10,14-15,18-20H,6-9,11-13H2,1-5H3,(H,26,27)/t15?,18?,19-,20?,25+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C25H36O6/c1-6-15(2)22(28)31-19-14-17(21(26)27)18(9-8-16-10-13-30-23(16)29)25(5)12-7-11-24(3,4)20(19)25/h10,14-15,18-20H,6-9,11-13H2,1-5H3,(H,26,27) |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 4661 |
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 |
|---|---|---|---|---|
| Gutierrezia espinosae | 71047 | Asteraceae | asterids | Viridiplantae |