input word = C00042047

Metabolite InformationStructural formula
Name 12beta-Hydroxybufalin
Formula C24H34O5
Mw 402.2406242
CAS RN 3714-45-2
C_ID C00042047 ,
InChIKey MDAMKPSXKUKLHO-GQINGHOTNA-N
InChICode InChI=1S/C24H34O5/c1-22-9-7-16(25)11-15(22)4-5-18-19(22)12-20(26)23(2)17(8-10-24(18,23)28)14-3-6-21(27)29-13-14/h3,6,13,15-20,25-26,28H,4-5,7-12H2,1-2H3/t15-,16+,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]2C[C@@H](O)[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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