input word = C00042170

Metabolite InformationStructural formula
Name 7beta,12alpha-Dihydroxybufalin
(+)-7beta,12alpha-Dihydroxybufalin
Formula C24H34O6
Mw 418.23553882
CAS RN 852831-46-0
C_ID C00042170 ,
InChIKey FOQIKYGEURAXIR-XGQQMREJNA-N
InChICode InChI=1S/C24H34O6/c1-22-7-5-15(25)9-14(22)10-18(26)21-17(22)11-19(27)23(2)16(6-8-24(21,23)29)13-3-4-20(28)30-12-13/h3-4,12,14-19,21,25-27,29H,5-11H2,1-2H3/t14-,15-,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@]([C@H](C1)O)([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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