KNApSAcK Metabolite C00011741
Metabolite
KNApSAcK Entry
| id | C00011741 |
|---|---|
| Name | Tetragonolide isobutyrate |
| CAS RN | 119886-36-1 |
| Standard InChI | InChI=1S/C25H33ClO11/c1-6-13(9-27)23(31)35-17-15-12(4)22(30)36-19(15)20(28)25(10-26)8-7-14(37-25)16(24(32)33-5)18(17)34-21(29)11(2)3/h6,11,14-20,27-28H,4,7-10H2,1-3,5H3/t14-,15+,16-,17-,18-,19-,20+,25?/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C25H33ClO11/c1-6-13(9-27)23(31)35-17-15-12(4)22(30)36-19(15)20(28)25(10-26)8-7-14(37-25)16(24(32)33-5)18(17)34-21(29)11(2)3/h6,11,14-20,27-28H,4,7-10H2,1-3,5H3 |
Cluster
| Phytochemical cluster | No. 38 |
|---|---|
| KCF-S cluster | No. 1532 |
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 | 2 |
Family
| family name | count |
|---|---|
| Asteraceae | 2 |
List (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Tetragonotheca ludoviciana | 183088 | Asteraceae | asterids | Viridiplantae |
| Tetragonotheca repanda | 183089 | Asteraceae | asterids | Viridiplantae |