KNApSAcK Metabolite C00047575
Metabolite
KNApSAcK Entry
| id | C00047575 |
|---|---|
| Name | Simplexin H / (+)-Simplexin H |
| CAS RN | 1154411-27-4 |
| Standard InChI | InChI=1S/C28H46O9/c1-9-10-21(32)37-27(7)12-11-20(34-16(4)29)26(6,33)14-19-24-23(25(27)35-19)22(15(2)3)18(31)13-28(24,8)36-17(5)30/h15,18-20,22-25,31,33H,9-14H2,1-8H3/t18-,19-,20+,22+,23-,24-,25-,26+,27+,28-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C28H46O9/c1-9-10-21(32)37-27(7)12-11-20(34-16(4)29)26(6,33)14-19-24-23(25(27)35-19)22(15(2)3)18(31)13-28(24,8)36-17(5)30/h15,18-20,22-25,31,33H,9-14H2,1-8H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 711 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer |
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 |