KEGG   COMPOUND: C21913Help
Entry
C21913                      Compound                               

Name
Dihydro-4-coumaroyl-CoA
Formula
C30H44N7O18P3S
Exact mass
915.1676
Mol weight
915.6927
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00941  Flavonoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.3.1.117       2.3.1.74
KCF data Show

ATOM        59
            1   C1b C    11.7600  -20.2300
            2   C5a C    13.0200  -19.5300
            3   S2a S    14.2100  -20.2300
            4   C1b C    15.4000  -19.5300
            5   C1b C    16.6600  -20.2300
            6   N1b N    17.8500  -19.5300
            7   C5a C    19.0400  -20.2300
            8   C1b C    20.3000  -19.5300
            9   C1b C    21.4900  -20.2300
            10  N1b N    22.6800  -19.5300
            11  C5a C    23.9400  -20.2300
            12  C1c C    25.1300  -19.5300
            13  C1d C    26.3200  -20.2300
            14  C1b C    27.5100  -19.5300
            15  O2b O    28.7700  -20.2300
            16  O5a O    13.0200  -18.1300
            17  O5a O    19.0400  -21.6300
            18  O5a O    23.9400  -21.6300
            19  O1a O    25.1300  -18.1300
            20  C1a C    26.3200  -18.8300
            21  C1a C    26.3200  -21.6300
            22  P1b P    30.1700  -20.2300
            23  O1c O    31.5700  -20.2300
            24  O1c O    30.1700  -21.6300
            25  C1y C    23.6600  -15.2600
            26  C1y C    25.0600  -15.2600
            27  C1y C    25.4800  -13.9300
            28  O2x O    24.3600  -13.0900
            29  C1y C    23.2400  -13.9300
            30  C1b C    26.8100  -13.5100
            31  O1a O    22.8200  -16.3800
            32  O2b O    25.9000  -16.3800
            33  P1b P    27.3000  -16.3800
            34  O1c O    27.3000  -14.9800
            35  O1c O    28.7000  -16.3800
            36  O1c O    27.3000  -17.7800
            37  C8y C    19.1100  -12.1100
            38  C8y C    19.1100  -13.5100
            39  N4y N    21.5600  -13.5100
            40  C8x C    21.5600  -12.1100
            41  N5x N    20.3000  -11.4100
            42  C8y C    17.9200  -11.4100
            43  N5x N    16.6600  -12.1100
            44  C8x C    16.6600  -13.5100
            45  N5x N    17.9200  -14.2100
            46  N1a N    17.9200  -10.0100
            47  O2b O    28.7700  -13.9300
            48  P1b P    30.1700  -13.9300
            49  O1c O    30.1700  -12.5300
            50  O1c O    31.5700  -13.9300
            51  O2c O    30.1700  -17.1500
            52  C1b C    10.5700  -19.5300
            53  C8y C     9.3800  -20.2300
            54  C8x C     9.3800  -21.6300
            55  C8x C     8.1200  -22.3300
            56  C8y C     6.9300  -21.6300
            57  C8x C     6.9300  -20.2300
            58  C8x C     8.1200  -19.5300
            59  O1a O     5.7400  -22.3300
BOND        62
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15    2  16 2
            16    7  17 2
            17   11  18 2
            18   12  19 1 #Down
            19   13  20 1
            20   13  21 1
            21   15  22 1
            22   22  23 2
            23   22  24 1
            24   25  26 1
            25   26  27 1
            26   27  28 1
            27   28  29 1
            28   25  29 1
            29   27  30 1 #Down
            30   25  31 1 #Up
            31   26  32 1 #Up
            32   32  33 1
            33   33  34 1
            34   33  35 1
            35   33  36 2
            36   37  38 2
            37   38  39 1
            38   39  40 1
            39   40  41 2
            40   37  41 1
            41   37  42 1
            42   42  43 2
            43   43  44 1
            44   44  45 2
            45   38  45 1
            46   42  46 1
            47   29  39 1 #Down
            48   30  47 1
            49   47  48 1
            50   48  49 1
            51   48  50 2
            52   48  51 1
            53   22  51 1
            54    1  52 1
            55   52  53 1
            56   53  54 2
            57   54  55 1
            58   55  56 2
            59   56  57 1
            60   57  58 2
            61   53  58 1
            62   56  59 1

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