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 C1[C@H]2[C@H]([C@@]3([C@](C1)([C@H](CC3)c1ccc(=O)oc1)C)O)CC[C@H]1[C@@]2(CC[C@@H](C1)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiCunninghamellaceaeCunninghamella blakesleana Ref.
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OrganismCunninghamella blakesleana
ReferenceYe,J.Nat.Prod.,68,(2005),626