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 C[C@]12CC[C@H](O)C[C@H]1C[C@H](O)[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.
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