KNApSAcK Metabolite C00030524
Metabolite
KNApSAcK Entry
| id | C00030524 |
|---|---|
| Name | iso-Dulcinol |
| CAS RN | 578714-90-6 |
| Standard InChI | InChI=1S/C27H36O4/c1-24(2)20(28)10-11-26(4)22(24)19(31-23(30)17-8-6-5-7-9-17)14-18-15-21(29)25(3)12-13-27(18,26)16-25/h5-9,18-20,22,28H,10-16H2,1-4H3/t18-,19+,20-,22-,25-,26-,27-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C27H36O4/c1-24(2)20(28)10-11-26(4)22(24)19(31-23(30)17-8-6-5-7-9-17)14-18-15-21(29)25(3)12-13-27(18,26)16-25/h5-9,18-20,22,28H,10-16H2,1-4H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 997 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL453025 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
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 L. | 107240 | Plantaginaceae | asterids | Viridiplantae |