KNApSAcK Metabolite C00047570
Metabolite
KNApSAcK Entry
| id | C00047570 |
|---|---|
| Name | Simplexin C / (+)-Simplexin C |
| CAS RN | 1154411-18-3 |
| Standard InChI | InChI=1S/C32H52O11/c1-10-12-22(35)42-27-24(17(3)4)25-26(32(9,38)29(27)40-19(6)34)20-16-30(7,37)21(39-18(5)33)14-15-31(8,28(25)41-20)43-23(36)13-11-2/h17,20-21,24-29,37-38H,10-16H2,1-9H3/t20-,21+,24-,25-,26-,27+,28-,29-,30+,31+,32+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C32H52O11/c1-10-12-22(35)42-27-24(17(3)4)25-26(32(9,38)29(27)40-19(6)34)20-16-30(7,37)21(39-18(5)33)14-15-31(8,28(25)41-20)43-23(36)13-11-2/h17,20-21,24-29,37-38H,10-16H2,1-9H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 711 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL552730 |
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 |