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 antibiotics
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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