input word = C00021644

Metabolite InformationStructural formula
Name Acanthisonitrile 3
Formula C16H25N
Mw 231.1986998
CAS RN 112766-99-1
C_ID C00021644 ,
InChIKey CCNJROSXBCZDQI-DNCVGMBXNA-N
InChICode InChI=1S/C16H25N/c1-11(2)14-7-6-13(4)16(10-14)9-8-12(3)15(16)17-5/h10-13,15H,6-9H2,1-4H3/t12-,13-,15+,16-/m0/s1
SMILES [C-]#[N+][C@@H]1[C@@H](C)CC[C@@]12C=C(C(C)C)CC[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg
Organism
Kingdom Family Species Reference
PlantaeMelastomataceaeAcanthella acuta Ref.
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OrganismAcanthella acuta
ReferenceMayol,Tetrahedron,43,(1987),5381