KNApSAcK Metabolite C00045796
Metabolite
KNApSAcK Entry
| id | C00045796 |
|---|---|
| Name | Contignasterol |
| CAS RN | 137571-30-3 |
| Standard InChI | InChI=1S/C29H48O7/c1-13(2)15-10-20(36-21(32)11-15)14(3)17-12-19(31)23-22-16(6-8-29(17,23)5)28(4)9-7-18(30)25(33)24(28)27(35)26(22)34/h13-18,20-27,30,32-35H,6-12H2,1-5H3/t14-,15+,16-,17+,18+,20+,21?,22+,23+,24+,25-,26+,27+,28+,29+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C29H48O7/c1-13(2)15-10-20(36-21(32)11-15)14(3)17-12-19(31)23-22-16(6-8-29(17,23)5)28(4)9-7-18(30)25(33)24(28)27(35)26(22)34/h13-18,20-27,30,32-35H,6-12H2,1-5H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 414 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL453149 CHEMBL2004266 |
KEGG
| By LinkDB | C19902 |
|---|
CTD
| By CAS RN | C091550 |
|---|
Species
Summary
Plant class
| class name | count |
|---|
Family
| family name | count |
|---|---|
| Chalinidae | 1 |
List (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Haliclona sp. | 34490 | Chalinidae | Metazoa | |
| Petrosia contignata |