KNApSAcK Metabolite C00031498
Metabolite
KNApSAcK Entry
| id | C00031498 |
|---|---|
| Name | 12-O-Benzoylisolineolon |
| CAS RN | 19534-89-5 |
| Standard InChI | InChI=1S/C28H36O6/c1-17(29)21-11-14-28(33)26(21,3)23(34-24(31)18-7-5-4-6-8-18)16-22-25(2)12-10-20(30)15-19(25)9-13-27(22,28)32/h4-9,20-23,30,32-33H,10-16H2,1-3H3/t20-,21+,22+,23+,25-,26-,27-,28+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C28H36O6/c1-17(29)21-11-14-28(33)26(21,3)23(34-24(31)18-7-5-4-6-8-18)16-22-25(2)12-10-20(30)15-19(25)9-13-27(22,28)32/h4-9,20-23,30,32-33H,10-16H2,1-3H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 443 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 2 |
Family
| family name | count |
|---|---|
| Apocynaceae | 2 |
List (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Araujia sericifera | 63463 | Apocynaceae | asterids | Viridiplantae |
| Asclepias incarnata L. | 330158 | Apocynaceae | asterids | Viridiplantae |