KEGG   COMPOUND: C11632
Entry
C11632                      Compound                               

Name
Polyneuridine aldehyde
Formula
C21H22N2O3
Exact mass
350.163
Mol weight
350.411
Structure
Reaction
Pathway
map00901  Indole alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.14.-       3.1.1.78
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C11632  Polyneuridine aldehyde
Other DBs
PubChem: 13797
ChEBI: 16829
3DMET: B05540
NIKKAJI: J2.775.679D
KCF data

ATOM        26
            1   C8x C    12.8800  -13.7200
            2   C8x C    12.8800  -15.1200
            3   C8x C    14.0924  -15.8200
            4   C8y C    15.3049  -15.1200
            5   C8y C    15.3049  -13.7200
            6   C8x C    14.0924  -13.0200
            7   N4x N    16.5173  -15.8200
            8   C8y C    17.7297  -15.1200
            9   C8y C    17.7297  -13.7200
            10  C1y C    18.9422  -15.8200
            11  N1y N    20.1546  -15.1200
            12  C1y C    20.1546  -13.7200
            13  C1x C    18.9422  -13.0200
            14  C1x C    18.9422  -17.2200
            15  C1y C    20.1546  -17.9200
            16  C2y C    21.3670  -17.2200
            17  C1x C    21.3670  -15.8200
            18  C2b C    22.5795  -17.9200
            19  C1a C    22.5795  -19.3200
            20  C1z C    21.3670  -13.0200
            21  C4a C    20.3771  -12.0301
            22  O4a O    18.9771  -12.0301
            23  C7a C    22.7193  -12.6577
            24  O7a O    23.7092  -13.6476
            25  O6a O    23.0816  -11.3054
            26  C1a C    25.0615  -13.2853
BOND        30
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    8  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15    9  13 1
            16   10  14 1
            17   14  15 1
            18   15  16 1
            19   16  17 1
            20   11  17 1
            21   16  18 2
            22   18  19 1
            23   12  20 1 #Up
            24   15  20 1 #Up
            25   20  21 1
            26   21  22 2
            27   20  23 1
            28   23  24 1
            29   23  25 2
            30   24  26 1

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