KNApSAcK Metabolite C00047572
Metabolite
KNApSAcK Entry
| id | C00047572 |
|---|---|
| Name | Simplexin E / (+)-Simplexin E |
| CAS RN | 1154411-22-9 |
| Standard InChI | InChI=1S/C33H52O11/c1-10-13-23(36)43-28-25(18(4)5)26-27(33(9,39)30(28)40-19(6)34)20-17-31(7,38)21(42-22(35)12-3)15-16-32(8,29(26)41-20)44-24(37)14-11-2/h12,18,20-21,25-30,38-39H,3,10-11,13-17H2,1-2,4-9H3/t20-,21+,25-,26-,27-,28+,29-,30-,31+,32+,33+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C33H52O11/c1-10-13-23(36)43-28-25(18(4)5)26-27(33(9,39)30(28)40-19(6)34)20-17-31(7,38)21(42-22(35)12-3)15-16-32(8,29(26)41-20)44-24(37)14-11-2/h12,18,20-21,25-30,38-39H,3,10-11,13-17H2,1-2,4-9H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 711 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL554381 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|
Family
| family name | count |
|---|---|
| Alcyoniidae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Klyxum simplex | 206346 | Alcyoniidae | Metazoa |