KNApSAcK Metabolite C00000895
Metabolite
KNApSAcK Entry
| id | C00000895 |
|---|---|
| Name | Scopadulcic acid B |
| CAS RN | 114804-65-8 |
| Standard InChI | InChI=1S/C27H34O5/c1-24-12-13-27(16-24)18(15-20(24)28)14-19(32-22(29)17-8-5-4-6-9-17)21-25(2,23(30)31)10-7-11-26(21,27)3/h4-6,8-9,18-19,21H,7,10-16H2,1-3H3,(H,30,31)/t18-,19+,21-,24-,25+,26-,27-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C27H34O5/c1-24-12-13-27(16-24)18(15-20(24)28)14-19(32-22(29)17-8-5-4-6-9-17)21-25(2,23(30)31)10-7-11-26(21,27)3/h4-6,8-9,18-19,21H,7,10-16H2,1-3H3,(H,30,31) |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 997 |
Link
ChEMBL
| By standard InChI | CHEMBL12514 |
|---|---|
| By standard InChI Main Layer | CHEMBL267008 CHEMBL12514 CHEMBL318885 CHEMBL509623 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN | C058658 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Plantaginaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Scoparia dulcis | 107240 | Plantaginaceae | asterids | Viridiplantae |