KEGG   COMPOUND: C09028
Entry
C09028                      Compound                               

Name
Alstonine
Formula
C21H20N2O3
Exact mass
348.1474
Mol weight
348.3951
Structure
Reaction
Pathway
map00901  Indole alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.14.-
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C09028  Alstonine
Other DBs
CAS: 642-18-2
PubChem: 11220
ChEBI: 2612
ChEMBL: CHEMBL1187439
KNApSAcK: C00001683
3DMET: B02624
NIKKAJI: J39.244H
KCF data

ATOM        26
            1   C8x C    22.5501  -16.9870
            2   C8x C    23.0958  -18.2560
            3   C8x C    24.4585  -18.4207
            4   C8x C    23.3801  -15.8773
            5   C8y C    24.7585  -16.0430
            6   C8y C    25.2976  -17.3147
            7   C8x C    26.8857  -12.9704
            8   C8x C    25.7725  -13.7055
            9   N5y N    28.1741  -13.6296 #+
            10  C8y C    28.1373  -15.0142
            11  C1x C    29.3555  -15.6761
            12  C1x C    29.2868  -12.9003
            13  C1y C    30.5049  -13.5621
            14  C1y C    30.5380  -14.9471
            15  C2y C    31.7496  -15.6084
            16  C2x C    32.9283  -14.8843
            17  O2x O    32.8979  -13.5059
            18  C1y C    31.6861  -12.8447
            19  C1a C    31.7691  -11.3920
            20  C7a C    31.7711  -17.0597
            21  C8y C    26.9608  -15.7462
            22  C8y C    25.7510  -15.0939
            23  N4x N    26.7163  -17.1004 #-
            24  O7a O    33.0936  -17.6287
            25  C1a C    33.2667  -19.0766
            26  O6a O    30.5946  -17.9233
BOND        30
            1     5   6 2
            2     1   2 1
            3    21  10 1
            4     9   7 1
            5     7   8 2
            6    13  14 1
            7    14  15 1
            8    15  16 2
            9    16  17 1
            10   17  18 1
            11   18  13 1
            12    8  22 1
            13   18  19 1 #Down
            14    2   3 2
            15   15  20 1
            16    3   6 1
            17    5   4 1
            18    4   1 2
            19   21  22 2
            20   22   5 1
            21    6  23 1
            22   23  21 1
            23    9  10 2
            24   20  24 1
            25   10  11 1
            26   24  25 1
            27   11  14 1
            28   20  26 2
            29   13  12 1
            30   12   9 1

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