KNApSAcK Metabolite C00012145
Metabolite
KNApSAcK Entry
| id | C00012145 |
|---|---|
| Name | Tithonin |
| CAS RN | 106533-67-9 |
| Standard InChI | InChI=1S/C20H28O7/c1-5-11(2)17(22)26-15-9-19(10-21)6-7-20(24,27-19)12(3)8-14-16(15)13(4)18(23)25-14/h8,11,14-16,21,24H,4-7,9-10H2,1-3H3/b12-8-/t11?,14-,15-,16+,19+,20-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C20H28O7/c1-5-11(2)17(22)26-15-9-19(10-21)6-7-20(24,27-19)12(3)8-14-16(15)13(4)18(23)25-14/h8,11,14-16,21,24H,4-7,9-10H2,1-3H3 |
Cluster
| Phytochemical cluster | No. 38 |
|---|---|
| KCF-S cluster | No. 687 |
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 |
|---|---|---|---|---|
| Tithonia rotundifolia | 105388 | Asteraceae | asterids | Viridiplantae |