KNApSAcK Metabolite C00045578
Metabolite
KNApSAcK Entry
| id | C00045578 |
|---|---|
| Name | 6alpha-Hydroxycinobufagin |
| CAS RN | 366004-26-4 |
| Standard InChI | InChI=1S/C26H34O7/c1-13(27)32-22-21(14-4-5-20(30)31-12-14)25(3)9-7-16-17(26(25)23(22)33-26)11-19(29)18-10-15(28)6-8-24(16,18)2/h4-5,12,15-19,21-23,28-29H,6-11H2,1-3H3/t15-,16-,17+,18-,19-,21-,22+,23+,24+,25+,26+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C26H34O7/c1-13(27)32-22-21(14-4-5-20(30)31-12-14)25(3)9-7-16-17(26(25)23(22)33-26)11-19(29)18-10-15(28)6-8-24(16,18)2/h4-5,12,15-19,21-23,28-29H,6-11H2,1-3H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 3804 |
Link
ChEMBL
| By standard InChI | CHEMBL515220 |
|---|---|
| By standard InChI Main Layer | CHEMBL515220 |
KEGG
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CTD
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