KEGG   COMPOUND: C09028Help
Entry
C09028                      Compound                               

Name
Alstonine
Formula
C21H20N2O3
Exact mass
348.1474
Mol weight
348.3951
Structure
Mol fileKCF fileDB search
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
BRITE hierarchy
Other DBs
CAS: 642-18-2
PubChem: 11220
ChEBI: 2612
ChEMBL: CHEMBL1187439
KNApSAcK: C00001683
3DMET: B02624
NIKKAJI: J39.244H
KCF data Show

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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