input word = C00042323

Metabolite InformationStructural formula
Name Bufalin
Formula C24H34O4
Mw 386.24570957
CAS RN 465-21-4
C_ID C00042323 ,
InChIKey QEEBRPGZBVVINN-WAKBTOJMNA-N
InChICode InChI=1S/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3/t16-,17+,18-,19+,20-,22+,23-,24+/m1/s1
SMILES C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiCunninghamellaceaeCunninghamella blakesleana Ref.
PlantaeCrassulaceaeBryophyllum pinnatum Ref.
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