KNApSAcK Metabolite C00045523
Metabolite
KNApSAcK Entry
| id | C00045523 |
|---|---|
| Name | 19-Oxobufalin |
| CAS RN | 366004-24-2 |
| Standard InChI | InChI=1S/C24H32O5/c1-22-9-7-19-20(4-3-16-12-17(26)6-10-23(16,19)14-25)24(22,28)11-8-18(22)15-2-5-21(27)29-13-15/h2,5,13-14,16-20,26,28H,3-4,6-12H2,1H3/t16-,17+,18-,19+,20-,22-,23-,24+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C24H32O5/c1-22-9-7-19-20(4-3-16-12-17(26)6-10-23(16,19)14-25)24(22,28)11-8-18(22)15-2-5-21(27)29-13-15/h2,5,13-14,16-20,26,28H,3-4,6-12H2,1H3 |
Cluster
| Phytochemical cluster | No. 57 |
|---|---|
| KCF-S cluster | No. 434 |
Link
ChEMBL
| By standard InChI | CHEMBL465906 |
|---|---|
| By standard InChI Main Layer | CHEMBL465906 |
KEGG
| By LinkDB |
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CTD
| By CAS RN |
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