input word = C00027919

Metabolite InformationStructural formula
Name Batrachotoxin
Formula C31H42N2O6
Mw 538.30428709
CAS RN 23509-16-2
C_ID C00027919 ,
InChIKey ISNYUQWBWALXEY-STEKLXMNNA-N
InChICode InChI=1S/C31H42N2O6/c1-18-16-32-19(2)25(18)26(35)38-20(3)22-8-9-30-23-7-6-21-14-29(36)11-10-27(21,4)31(23,39-29)24(34)15-28(22,30)17-33(5)12-13-37-30/h7-8,16,20-21,24,32,34,36H,6,9-15,17H2,1-5H3/t20-,21+,24+,27-,28-,29+,30-,31-/m0/s1
SMILES [C@]12(O[C@@]34[C@]([C@@H](C2)CC=C3[C@]23[C@](C[C@H]4O)(C(=CC2)[C@H](C)OC(=O)c2c(c[nH]c2C)C)CN(CCO3)C)(CC1)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro Cholesterol
Organism
Kingdom Family Species Reference
AnimaliaDendrobatiaePhyllobates aurotaenia Ref.
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OrganismPhyllobates aurotaenia
ReferenceTokuyama,J.Am.Chem.Soc.,91,(1969),3931