KNApSAcK Metabolite C00027694
Metabolite
KNApSAcK Entry
| id | C00027694 |
|---|---|
| Name | 16alpha-Acetoxybuxabenzamidienine |
| CAS RN | 107259-39-2 |
| Standard InChI | InChI=1S/C35H50N2O3/c1-22(37(7)8)31-29(40-23(2)38)21-35(6)28-16-15-27-25(20-26(28)18-19-34(31,35)5)14-17-30(33(27,3)4)36-32(39)24-12-10-9-11-13-24/h9-13,18,20,22,27-31H,14-17,19,21H2,1-8H3,(H,36,39)/t22-,27+,28+,29+,30-,31-,34+,35-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C35H50N2O3/c1-22(37(7)8)31-29(40-23(2)38)21-35(6)28-16-15-27-25(20-26(28)18-19-34(31,35)5)14-17-30(33(27,3)4)36-32(39)24-12-10-9-11-13-24/h9-13,18,20,22,27-31H,14-17,19,21H2,1-8H3,(H,36,39) |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 1058 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| eudicotyledons | 1 |
Family
| family name | count |
|---|---|
| Buxaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Buxus longifolia Boiss | 4001 | Buxaceae | eudicotyledons | Viridiplantae |