input word = C00011921

Metabolite InformationStructural formula
Name 3-Isocyanotheonellin
Theonellin isocyanide
Formula C16H25N
Mw 231.1986998
CAS RN 105281-40-1
C_ID C00011921 ,
InChIKey MARLZIFXCZUGPF-QGKUFRKNNA-N
InChICode InChI=1S/C16H25N/c1-13(2)7-6-8-14(3)15-9-11-16(4,17-5)12-10-15/h6-8,13,15H,9-12H2,1-4H3/b7-6+,14-8+/t15-,16-
SMILES C1C[C@@H](CC[C@@]1(C)[N+]
Start Substs in Alk. Biosynthesis (Prediction) L-Arg
Organism
Kingdom Family Species Reference
AnimaliaDemospongiaeAxinyssa isabela Ref.
AnimaliaPhyllidiidaePhyllidia sp. Ref.
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