KNApSAcK Metabolite C00045598
Metabolite
KNApSAcK Entry
| id | C00045598 |
|---|---|
| Name | 9-Deoxy-7,8-epoxyxeniloide E |
| CAS RN | 479067-61-3 |
| Standard InChI | InChI=1S/C20H28O4/c1-12-5-7-16-20(4,24-16)10-9-14-13(11-22-18(21)17(12)14)6-8-15-19(2,3)23-15/h6,14-17H,1,5,7-11H2,2-4H3/b13-6-/t14-,15?,16+,17+,20+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C20H28O4/c1-12-5-7-16-20(4,24-16)10-9-14-13(11-22-18(21)17(12)14)6-8-15-19(2,3)23-15/h6,14-17H,1,5,7-11H2,2-4H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 3902 |
Link
ChEMBL
| By standard InChI | CHEMBL518878 |
|---|---|
| By standard InChI Main Layer | CHEMBL518878 |
KEGG
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CTD
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