KNApSAcK Metabolite C00046052
Metabolite
KNApSAcK Entry
| id | C00046052 |
|---|---|
| Name | Isoxeniolide A / (+)-Isoxeniolide A |
| CAS RN | 71117-53-8 |
| Standard InChI | InChI=1S/C20H28O4/c1-13-7-8-16-17(6-5-9-20(3,4)23)19(22)24-12-18(16)14(2)11-15(21)10-13/h5-6,9-10,15-16,18,21,23H,2,7-8,11-12H2,1,3-4H3/b9-5+,13-10-,17-6-/t15-,16+,18-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C20H28O4/c1-13-7-8-16-17(6-5-9-20(3,4)23)19(22)24-12-18(16)14(2)11-15(21)10-13/h5-6,9-10,15-16,18,21,23H,2,7-8,11-12H2,1,3-4H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 2086 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL523377 |
KEGG
| By LinkDB |
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CTD
| By CAS RN |
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