input word = C00045524

Metabolite InformationStructural formula
Name 19-Oxodesacetylcinobufagin
Formula C24H30O6
Mw 414.20423869
CAS RN 366004-25-3
C_ID C00045524 ,
InChIKey JNBBHUNHDKWCIR-BUUIEBNJNA-N
InChICode 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
SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C=O)[C@]13O[C@@H]3[C@H](O)[C@@H]2c1ccc(=O)oc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaBufonidaeBufo bufo gargarizans Ref.
AnimaliaBufonidaeBufo gargarizans Ref.
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OrganismBufo bufo gargarizans
ReferenceNogawa, et al., JNP, 64, (2001), 1148