KNApSAcK Metabolite C00011742
Metabolite
KNApSAcK Entry
| id | C00011742 |
|---|---|
| Name | Tetragonolide 2-methylbutyrate |
| CAS RN | 119863-95-5 |
| Standard InChI | InChI=1S/C26H35ClO11/c1-6-12(3)22(30)35-19-17(25(33)34-5)15-8-9-26(11-27,38-15)21(29)20-16(13(4)23(31)37-20)18(19)36-24(32)14(7-2)10-28/h7,12,15-21,28-29H,4,6,8-11H2,1-3,5H3/t12?,15-,16+,17-,18-,19-,20-,21+,26?/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C26H35ClO11/c1-6-12(3)22(30)35-19-17(25(33)34-5)15-8-9-26(11-27,38-15)21(29)20-16(13(4)23(31)37-20)18(19)36-24(32)14(7-2)10-28/h7,12,15-21,28-29H,4,6,8-11H2,1-3,5H3 |
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 | 1 |
Family
| family name | count |
|---|---|
| Asteraceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Tetragonotheca ludoviciana | 183088 | Asteraceae | asterids | Viridiplantae |