KNApSAcK Metabolite C00045600
Metabolite
KNApSAcK Entry
| id | C00045600 |
|---|---|
| Name | 9-Deoxyxeniloide E / (+)-9-Deoxyxeniloide E |
| CAS RN | 479067-60-2 |
| Standard InChI | InChI=1S/C20H28O3/c1-13-6-5-7-14(2)18-16(10-8-13)15(12-22-19(18)21)9-11-17-20(3,4)23-17/h6,9,16-18H,2,5,7-8,10-12H2,1,3-4H3/b13-6-,15-9-/t16-,17?,18+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C20H28O3/c1-13-6-5-7-14(2)18-16(10-8-13)15(12-22-19(18)21)9-11-17-20(3,4)23-17/h6,9,16-18H,2,5,7-8,10-12H2,1,3-4H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 2499 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL465479 |
KEGG
| By LinkDB |
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CTD
| By CAS RN |
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