KNApSAcK Metabolite C00013234
Metabolite
KNApSAcK Entry
| id | C00013234 |
|---|---|
| Name | Tirotundifolin B / (-)-Tirotundifolin B / (3aR,4R,5aR,6R,9bS)-[partial]-2,3,3a,4,5,5a,6,7,8,9b-Decahydro-6-hydroxy-5a,9-dimethyl-3-methylene-2-oxonaphtho[1,2-b]furan-4-yl ester 3-hydroxy-2-methylenebutanoic acid |
| CAS RN | 92356-88-2 |
| Standard InChI | InChI=1S/C20H26O6/c1-9-6-7-14(22)20(5)8-13(25-18(23)10(2)12(4)21)15-11(3)19(24)26-17(15)16(9)20/h12-15,17,21-22H,2-3,6-8H2,1,4-5H3 |
| Standard InChI (Main Layer) | InChI=1S/C20H26O6/c1-9-6-7-14(22)20(5)8-13(25-18(23)10(2)12(4)21)15-11(3)19(24)26-17(15)16(9)20/h12-15,17,21-22H,2-3,6-8H2,1,4-5H3 |
Cluster
| Phytochemical cluster | No. 38 |
|---|---|
| KCF-S cluster | No. 214 |
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 |