KNApSAcK Metabolite C00045525
Metabolite
KNApSAcK Entry
| id | C00045525 |
|---|---|
| Name | 1beta-Hydroxybufalin |
| CAS RN | 366004-27-5 |
| Standard InChI | InChI=1S/C24H34O5/c1-22-9-7-18-19(5-4-15-11-16(25)12-20(26)23(15,18)2)24(22,28)10-8-17(22)14-3-6-21(27)29-13-14/h3,6,13,15-20,25-26,28H,4-5,7-12H2,1-2H3/t15-,16-,17-,18+,19-,20-,22-,23+,24+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C24H34O5/c1-22-9-7-18-19(5-4-15-11-16(25)12-20(26)23(15,18)2)24(22,28)10-8-17(22)14-3-6-21(27)29-13-14/h3,6,13,15-20,25-26,28H,4-5,7-12H2,1-2H3 |
Cluster
| Phytochemical cluster | No. 57 |
|---|---|
| KCF-S cluster | No. 434 |
Link
ChEMBL
| By standard InChI | CHEMBL458565 |
|---|---|
| By standard InChI Main Layer | CHEMBL458565 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|