input word = C00047719

Metabolite InformationStructural formula
Name Ambiguine C isonitrile
Formula C26H32N2O
Mw 388.25146366
CAS RN 138630-61-2
C_ID C00047719 ,
InChIKey WLJXVZBTVNNBJG-ROQCZUFVNA-N
InChICode InChI=1S/C26H33N2O/c1-9-23(3,4)21-20-19-16(12-11-13-17(19)28-21)24(5,6)18-14-15-25(7,10-2)22(27-8)26(18,20)29/h8-13,18,22,28-29H,1-2,14-15H2,3-7H3/t18-,22+,25+,26-/m1/s1
SMILES c12c3cccc1[nH]c(c2[C@@]1([C@@H](C3(C)C)CC[C@@]([C@@H]1[N]
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Fischerella ambigua Ref.
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