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 C1[C@@H](C[C@@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)([C@H](CC2)c1coc(=O)cc1)C)O)C=O)O
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