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 Cc1c[nH]c(C)c1C(=O)O[C@@H](C)C1=CC[C@@]23OCCN(C)C[C@@]12C[C@@H](O)[C@]12O[C@]4(O)CC[C@@]1(C)[C@H](CC=C32)C4
Start Substs in Alk. Biosynthesis (Prediction) L-Pro Cholesterol
Organism
Kingdom Family Species Reference
AnimaliaDendrobatiaePhyllobates aurotaenia Ref.
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