| id | C00040480 | 
|---|---|
| Name | Theoneberine / (-)-Theoneberine | 
| CAS RN | 145400-57-3 | 
| Standard InChI | InChI=1S/C27H25Br4NO6/c1-36-25-14(28)6-11(8-18(25)33)7-16-19-12(9-15(29)26(37-2)23(19)34)10-17-20-13(4-5-32(16)17)21(30)27(38-3)24(35)22(20)31/h6,8-9,16-17,33-35H,4-5,7,10H2,1-3H3/t16-,17+/m0/s1 | 
| Standard InChI (Main Layer) | InChI=1S/C27H25Br4NO6/c1-36-25-14(28)6-11(8-18(25)33)7-16-19-12(9-15(29)26(37-2)23(19)34)10-17-20-13(4-5-32(16)17)21(30)27(38-3)24(35)22(20)31/h6,8-9,16-17,33-35H,4-5,7,10H2,1-3H3 | 
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 6803 | 
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | 
| By LinkDB | 
|---|
| By CAS RN | 
|---|
| class name | count | 
|---|
| family name | count | 
|---|---|
| Theonellidae | 1 | 
| KNApSAcK organism | *ID | *family | *plant class | *kingdom | 
|---|---|---|---|---|
| Theonella swinhoei | 37505 | Theonellidae | Metazoa |