KNApSAcK Metabolite C00012344
Metabolite
KNApSAcK Entry
| id | C00012344 |
|---|---|
| Name | Quadrangolide |
| CAS RN | 110269-98-2 |
| Standard InChI | InChI=1S/C15H20O3/c1-9-5-4-6-15(3)13(18-15)8-11-10(2)14(16)17-12(11)7-9/h5,11-13H,2,4,6-8H2,1,3H3/b9-5-/t11-,12+,13+,15-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C15H20O3/c1-9-5-4-6-15(3)13(18-15)8-11-10(2)14(16)17-12(11)7-9/h5,11-13H,2,4,6-8H2,1,3H3 |
Cluster
| Phytochemical cluster | No. 38 |
|---|---|
| KCF-S cluster | No. 227 |
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 |
|---|---|---|---|---|
| Eupatorium quadrangulare | 13516 | Asteraceae | asterids | Viridiplantae |