input word = C00045523

Metabolite InformationStructural formula
Name 19-Oxobufalin
Formula C24H32O5
Mw 400.22497413
CAS RN 366004-24-2
C_ID C00045523 ,
InChIKey STSJQAAJJHGCMJ-AYYUPQOFNA-N
InChICode InChI=1S/C24H32O5/c1-22-9-7-19-20(4-3-16-12-17(26)6-10-23(16,19)14-25)24(22,28)11-8-18(22)15-2-5-21(27)29-13-15/h2,5,13-14,16-20,26,28H,3-4,6-12H2,1H3/t16-,17+,18-,19+,20-,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@@]1(O)CC[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