input word = C00045525

Metabolite InformationStructural formula
Name 1beta-Hydroxybufalin
Formula C24H34O5
Mw 402.2406242
CAS RN 366004-27-5
C_ID C00045525 ,
InChIKey IMWIOPJWKFUVSV-XMEDGOPONA-N
InChICode InChI=1S/C24H34O5/c1-22-9-7-18-19(5-4-15-11-16(25)12-20(26)23(15,18)2)24(22,28)10-8-17(22)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 C1[C@@H](C[C@@H]2[C@]([C@@H]1O)([C@@H]1[C@@H](CC2)[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
AnimaliaBufonidaeBufo gargarizans Ref.
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