KEGG   COMPOUND: C06523
Entry
C06523                      Compound                               

Name
Coniine;
(+)-Coniine;
Cicutin
Formula
C8H17N
Exact mass
127.1361
Mol weight
127.2273
Structure
Reaction
Pathway
map01060  Biosynthesis of plant secondary metabolites
map01066  Biosynthesis of alkaloids derived from terpenoid and polyketide
Enzyme
1.5.1.-
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived by amination reactions
   Acetate derived alkaloids
    C06523  Coniine
Natural toxins [BR:br08009]
 Phytotoxins
  Alkaloids
   Piperidine alkaloids
    C06523  Coniine
Other DBs
CAS: 458-88-8
PubChem: 8754
ChEBI: 28322
ChEMBL: CHEMBL2287063
KNApSAcK: C00002031
3DMET: B02049
NIKKAJI: J5.763K
KCF data

ATOM        9
            1   C1y C    25.0600  -15.0897
            2   C1x C    25.0600  -16.4889
            3   N1x N    23.8482  -14.3872
            4   C1b C    26.2718  -14.3872
            5   C1x C    23.8482  -17.1913
            6   C1x C    22.6365  -15.0897
            7   C1b C    27.4835  -15.0897
            8   C1x C    22.6365  -16.4889
            9   C1a C    28.6953  -14.3931
BOND        9
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     7   9 1
            9     6   8 1

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