KEGG   COMPOUND: C12479Help
Entry
C12479                      Compound                               

Name
Coumermic acid
Formula
C27H21N3O10
Exact mass
547.1227
Mol weight
547.4697
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Novobiocin biosynthesis
Biosynthesis of secondary metabolites
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        40
            1   C8y C    20.3700  -18.3400
            2   C8x C    20.7900  -17.0100
            3   N4x N    22.1900  -17.0100
            4   C8y C    22.6100  -18.3400
            5   C8y C    21.4900  -19.1800
            6   C5a C    23.8000  -19.0400
            7   N1b N    25.0600  -18.3400
            8   C8y C    26.2500  -19.0400
            9   C5a C    19.1800  -19.0400
            10  N1b N    17.9200  -18.3400
            11  C8y C    16.7300  -19.0400
            12  C1a C    21.4900  -20.5800
            13  O5a O    23.7828  -20.4399
            14  O5a O    19.1972  -20.4399
            15  C8y C    26.2386  -20.4400
            16  O7x O    27.4453  -21.1498
            17  C8y C    28.6634  -20.4597
            18  C8y C    28.6048  -19.0597
            19  C8y C    27.4681  -18.3499
            20  C8y C    15.5119  -18.3499
            21  C8y C    14.3752  -19.0597
            22  C8y C    14.3166  -20.4597
            23  O7x O    15.5347  -21.1498
            24  C8y C    16.7414  -20.4400
            25  C8x C    13.1931  -18.3096
            26  C8x C    11.8825  -18.9582
            27  C8y C    11.8938  -20.3582
            28  C8y C    13.0759  -21.1083
            29  C8y C    29.9040  -21.1084
            30  C8y C    31.0861  -20.3583
            31  C8x C    31.0975  -18.9583
            32  C8x C    29.7869  -18.3096
            33  O6a O    25.0292  -21.1253
            34  C1a C    29.8942  -22.5380
            35  O1a O    32.3104  -21.0379
            36  C1a C    13.0857  -22.5380
            37  O6a O    17.9508  -21.1252
            38  O1a O    10.6695  -21.0378
            39  O1a O    15.5516  -16.9412
            40  O1a O    27.4284  -16.9412
BOND        44
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     1   5 1
            6     4   6 1
            7     6   7 1
            8     7   8 1
            9     1   9 1
            10    9  10 1
            11   10  11 1
            12    5  12 1
            13    6  13 2
            14    9  14 2
            15    8  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20    8  19 2
            21   11  20 2
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   11  24 1
            27   21  25 2
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   22  28 2
            32   17  29 2
            33   29  30 1
            34   30  31 2
            35   31  32 1
            36   18  32 2
            37   15  33 2
            38   29  34 1
            39   30  35 1
            40   28  36 1
            41   24  37 2
            42   27  38 1
            43   20  39 1
            44   19  40 1

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