input word = C00045578

Metabolite InformationStructural formula
Name 6alpha-Hydroxycinobufagin
Formula C26H34O7
Mw 458.23045344
CAS RN 366004-26-4
C_ID C00045578 ,
InChIKey KWAUEUQHUYWWTO-CPJNQDCTNA-N
InChICode 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
SMILES CC(=O)O[C@H]1[C@H]2O[C@]23[C@@H]2C[C@H](O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]2CC[C@]3(C)[C@H]1c1ccc(=O)oc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaBufonidaeBufo gargarizans Ref.
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