KNApSAcK Metabolite C00040651
Metabolite
KNApSAcK Entry
| id | C00040651 |
|---|---|
| Name | Withametelin O / (-)-Withametelin O |
| CAS RN | 946131-65-3 |
| Standard InChI | InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23-,25-,26+,27-,28+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 1339 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL396715 CHEMBL2333591 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Solanaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Datura metel | 35625 | Solanaceae | asterids | Viridiplantae |