KNApSAcK Metabolite C00029858
Metabolite
KNApSAcK Entry
| id | C00029858 |
|---|---|
| Name | Bruceoside B / (+)-Bruceoside B |
| CAS RN | 69687-69-0 |
| Standard InChI | InChI=1S/C32H42O16/c1-11(2)6-17(35)47-23-25-31-10-44-32(25,29(42)43-5)26(40)21(39)24(31)30(4)8-14(34)22(12(3)13(30)7-16(31)46-27(23)41)48-28-20(38)19(37)18(36)15(9-33)45-28/h6,13,15-16,18-21,23-26,28,33,36-40H,7-10H2,1-5H3/t13-,15+,16+,18+,19-,20+,21+,23+,24+,25?,26-,28-,30-,31+,32-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C32H42O16/c1-11(2)6-17(35)47-23-25-31-10-44-32(25,29(42)43-5)26(40)21(39)24(31)30(4)8-14(34)22(12(3)13(30)7-16(31)46-27(23)41)48-28-20(38)19(37)18(36)15(9-33)45-28/h6,13,15-16,18-21,23-26,28,33,36-40H,7-10H2,1-5H3 |
Cluster
| Phytochemical cluster | No. 51 |
|---|---|
| KCF-S cluster | No. 875 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL2029084 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN | C068162 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 2 |
Family
| family name | count |
|---|---|
| Simaroubaceae | 2 |
List (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Brucea amarissima (Lour.) Desv.ex B.A.Gomes | 43722 | Simaroubaceae | rosids | Viridiplantae |
| Brucea japonica | 43722 | Simaroubaceae | rosids | Viridiplantae |