KNApSAcK Metabolite C00022647
Metabolite
KNApSAcK Entry
| id | C00022647 |
|---|---|
| Name | Gutierrezianolic acid 2-methylbutyrate |
| CAS RN | 73489-08-4 |
| Standard InChI | InChI=1S/C25H36O5/c1-6-16(2)23(28)30-20-14-18(22(26)27)19(9-8-17-10-13-29-15-17)25(5)12-7-11-24(3,4)21(20)25/h10,13-16,19-21H,6-9,11-12H2,1-5H3,(H,26,27)/t16?,19-,20-,21-,25+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C25H36O5/c1-6-16(2)23(28)30-20-14-18(22(26)27)19(9-8-17-10-13-29-15-17)25(5)12-7-11-24(3,4)21(20)25/h10,13-16,19-21H,6-9,11-12H2,1-5H3,(H,26,27) |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 829 |
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 |