input word = C00055367

Metabolite InformationStructural formula
Name Alline
Formula C11H14N2O
Mw 190.11061308
CAS RN 101053-34-3
C_ID C00055367
InChIKey CBQYNPHHHJTCJS-WDEREUQCSA-N
InChICode InChI=1S/C11H14N2O/c1-13-7-6-11(14)8-4-2-3-5-9(8)12-10(11)13/h2-5,10,12,14H,6-7H2,1H3/t10-,11+/m0/s1
SMILES CN1CC[C@@]2(O)c3ccccc3N[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium odorum Ref.
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OrganismAllium odorum
ReferenceTashkhodzhaev, B. et al., Khim. Prir. Soedin., 1985, 21, 687-691

Chem. Nat. Compd. (Engl. Transl.), 645-649 (isol, cryst struct, uv)