KNApSAcK Metabolite C00035813
Metabolite
KNApSAcK Entry
| id | C00035813 |
|---|---|
| Name | Brucein E |
| CAS RN | 21586-90-3 |
| Standard InChI | InChI=1S/C20H28O9/c1-7-4-9(21)13(23)17(2)8(7)5-10-19-6-28-18(3,14(24)11(22)12(17)19)20(19,27)15(25)16(26)29-10/h4,8-15,21-25,27H,5-6H2,1-3H3/t8-,9-,10+,11+,12+,13+,14-,15-,17-,18+,19+,20+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C20H28O9/c1-7-4-9(21)13(23)17(2)8(7)5-10-19-6-28-18(3,14(24)11(22)12(17)19)20(19,27)15(25)16(26)29-10/h4,8-15,21-25,27H,5-6H2,1-3H3 |
Cluster
| Phytochemical cluster | No. 51 |
|---|---|
| KCF-S cluster | No. 432 |
Link
ChEMBL
| By standard InChI | CHEMBL2037038 |
|---|---|
| By standard InChI Main Layer | CHEMBL2037038 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN | C030413 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 1 |
Family
| family name | count |
|---|---|
| Simaroubaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Brucea amarissima (Lour.) Desv.ex B.A.Gomes | 43722 | Simaroubaceae | rosids | Viridiplantae |