KNApSAcK Metabolite C00012146
Metabolite
KNApSAcK Entry
| id | C00012146 |
|---|---|
| Name | 3-O-Methyltithonin |
| CAS RN | 106533-68-0 |
| Standard InChI | InChI=1S/C21H30O7/c1-6-12(2)18(23)27-16-10-20(11-22)7-8-21(25-5,28-20)13(3)9-15-17(16)14(4)19(24)26-15/h9,12,15-17,22H,4,6-8,10-11H2,1-3,5H3/b13-9-/t12?,15-,16-,17+,20+,21-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C21H30O7/c1-6-12(2)18(23)27-16-10-20(11-22)7-8-21(25-5,28-20)13(3)9-15-17(16)14(4)19(24)26-15/h9,12,15-17,22H,4,6-8,10-11H2,1-3,5H3 |
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 |