input word = C00042171

Metabolite InformationStructural formula
Name 7beta-Hydroxybufalin
Formula C24H34O5
Mw 402.2406242
CAS RN 20143-97-9
C_ID C00042171 ,
InChIKey IZQUQFWHNJERCJ-NWHFRAQXNA-N
InChICode InChI=1S/C24H34O5/c1-22-8-5-16(25)11-15(22)12-19(26)21-18(22)6-9-23(2)17(7-10-24(21,23)28)14-3-4-20(27)29-13-14/h3-4,13,15-19,21,25-26,28H,5-12H2,1-2H3/t15-,16-,17+,18-,19-,21-,22-,23+,24-/m0/s1
SMILES C1[C@@H](C[C@@H]2[C@](C1)([C@@H]1[C@@H]([C@H](C2)O)[C@@]2([C@](CC1)([C@H](CC2)c1coc(=O)cc1)C)O)C)O
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