input word = C00021648

Metabolite InformationStructural formula
Name Axisonitrile 3
Formula C16H25N
Mw 231.1986998
CAS RN 59633-83-9
C_ID C00021648 ,
InChIKey CLJZNXABBGEKKI-ZGUMRWSZNA-N
InChICode InChI=1S/C16H25N/c1-11(2)14-7-6-13(4)16(15(14)17-5)9-8-12(3)10-16/h10-11,13-15H,6-9H2,1-4H3/t13-,14+,15-,16-/m0/s1
SMILES [C-]#[N+][C@H]1[C@@H](C(C)C)CC[C@H](C)[C@]12C=C(C)CC2
Start Substs in Alk. Biosynthesis (Prediction) L-Arg
Organism
Kingdom Family Species Reference
AnimaliaAxinellidaeAxinella cannabina Ref.
PlantaeMelastomataceaeAcanthella cavernosa Ref.
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