KNApSAcK Metabolite C00045524
Metabolite
KNApSAcK Entry
| id | C00045524 |
|---|---|
| Name | 19-Oxodesacetylcinobufagin |
| CAS RN | 366004-25-3 |
| Standard InChI | InChI=1S/C24H30O6/c1-22-8-7-16-17(4-3-14-10-15(26)6-9-23(14,16)12-25)24(22)21(30-24)20(28)19(22)13-2-5-18(27)29-11-13/h2,5,11-12,14-17,19-21,26,28H,3-4,6-10H2,1H3/t14-,15+,16+,17-,19+,20-,21-,22-,23-,24-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C24H30O6/c1-22-8-7-16-17(4-3-14-10-15(26)6-9-23(14,16)12-25)24(22)21(30-24)20(28)19(22)13-2-5-18(27)29-11-13/h2,5,11-12,14-17,19-21,26,28H,3-4,6-10H2,1H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 3804 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL458384 |
KEGG
| By LinkDB |
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CTD
| By CAS RN |
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