input word = C00045557

Metabolite InformationStructural formula
Name 3beta-Formyloxyresibufogenin
Formula C25H32O5
Mw 412.22497413
CAS RN 336183-61-0
C_ID C00045557 ,
InChIKey ANZIXHORKDWMAO-CIBOXEEONA-N
InChICode InChI=1S/C25H32O5/c1-23-9-7-17(29-14-26)11-16(23)4-5-19-18(23)8-10-24(2)20(12-21-25(19,24)30-21)15-3-6-22(27)28-13-15/h3,6,13-14,16-21H,4-5,7-12H2,1-2H3/t16-,17+,18+,19-,20-,21-,23+,24-,25-/m1/s1
SMILES C[C@]12CC[C@H](OC=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@H]3O[C@]132
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaBufonidaeBufo gargarizans Ref.
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OrganismBufo gargarizans
ReferenceNogawa,J.Nat.Prod.,64,(2001),1148