KEGG   COMPOUND: C11632Help
Entry
C11632                      Compound                               

Name
Polyneuridine aldehyde
Formula
C21H22N2O3
Exact mass
350.163
Mol weight
350.411
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Indole alkaloid biosynthesis
Biosynthesis of secondary metabolites
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C11632  Polyneuridine aldehyde
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

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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