KEGG   COMPOUND: C18069Help
Entry
C18069                      Compound                               

Name
N1,N5,N10-Tricoumaroyl spermidine
Formula
C34H37N3O6
Exact mass
583.2682
Mol weight
583.6741
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00940  Phenylpropanoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.13.-
Other DBs
PubChem: 96024287
ChEBI: 61514
NIKKAJI: J346.406G
KCF data Show

ATOM        43
            1   C8x C     7.4200  -11.2700
            2   C8y C     7.4200  -12.6700
            3   C8x C     8.6324  -13.3700
            4   C8x C     9.8449  -12.6700
            5   C8y C     9.8449  -11.2700
            6   C8x C     8.6324  -10.5700
            7   C2b C    11.0824  -10.5700
            8   C2b C    12.2949  -11.2700
            9   C5a C    13.5073  -10.5700
            10  N1b N    14.7197  -11.2700
            11  C1b C    15.9322  -10.5700
            12  C1b C    17.1446  -11.2700
            13  C1b C    18.3570  -10.5700
            14  N1c N    19.5695  -11.2700
            15  C1b C    20.7819  -10.5700
            16  C1b C    21.9944  -11.2700
            17  C1b C    23.2068  -10.5700
            18  C1b C    24.4192  -11.2700
            19  N1b N    25.6317  -10.5700
            20  C5a C    26.8441  -11.2700
            21  C2b C    28.0565  -10.5700
            22  C2b C    29.2690  -11.2700
            23  C8y C    30.4814  -10.5700
            24  O1a O     6.2076  -13.3700
            25  O5a O    13.5073   -9.1700
            26  C5a C    19.5695  -12.6700
            27  O5a O    18.3801  -13.3570
            28  C2b C    20.8047  -13.3833
            29  C2b C    20.8047  -14.7833
            30  C8y C    22.0171  -15.4833
            31  C8x C    22.0171  -16.8833
            32  C8x C    23.2296  -17.5833
            33  C8y C    24.4420  -16.8833
            34  C8x C    24.4420  -15.4833
            35  C8x C    23.2296  -14.7833
            36  O1a O    25.6397  -17.5747
            37  O5a O    26.8441  -12.6696
            38  C8x C    31.6938  -11.2700
            39  C8x C    32.9063  -10.5700
            40  C8y C    32.9063   -9.1700
            41  C8x C    31.6938   -8.4700
            42  C8x C    30.4814   -9.1700
            43  O1a O    34.1140   -8.4727
BOND        45
            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     5   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24    2  24 1
            25    9  25 2
            26   14  26 1
            27   26  27 2
            28   26  28 1
            29   28  29 2
            30   29  30 1
            31   30  31 1
            32   31  32 2
            33   32  33 1
            34   33  34 2
            35   34  35 1
            36   30  35 2
            37   33  36 1
            38   20  37 2
            39   23  38 2
            40   38  39 1
            41   39  40 2
            42   40  41 1
            43   41  42 2
            44   23  42 1
            45   40  43 1

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