KEGG   COMPOUND: C12375Help
Entry
C12375                      Compound                               

Name
Tetracenomycin D3 methylester
Formula
C21H14O8
Exact mass
394.0689
Mol weight
394.3311
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01130  Biosynthesis of antibiotics
Other DBs
PubChem: 582765
ChEBI: 32203
3DMET: B04461
NIKKAJI: J248.137E
KCF data Show

ATOM        29
            1   C8x C    28.0159  -18.2536
            2   C8y C    22.0998  -18.9267
            3   C8x C    23.2800  -18.2509
            4   C8y C    24.4695  -18.9267
            5   C5x C    25.6497  -18.2605
            6   C8y C    26.8392  -18.9361
            7   C8x C    22.0957  -20.3570
            8   C8y C    29.1993  -18.9457
            9   C8x C    30.3890  -18.2605
            10  C8y C    31.5689  -18.9457
            11  C8y C    23.2704  -21.0422
            12  C8y C    24.5299  -20.3663
            13  C5x C    25.6401  -21.0515
            14  C8y C    26.8296  -20.3759
            15  C8y C    28.0097  -21.0611
            16  C8y C    29.1899  -20.3855
            17  C8y C    30.3794  -21.0707
            18  C8y C    31.5689  -20.3855
            19  O1a O    23.2608  -22.4126
            20  O5x O    25.6305  -22.4220
            21  O1a O    28.0001  -22.4316
            22  C1a C    30.3698  -22.4316
            23  O1a O    20.9007  -18.2509
            24  C7a C    32.7534  -21.0634
            25  O7a O    33.9446  -20.3807
            26  O6a O    32.7562  -22.4338
            27  O5x O    25.6401  -16.8900
            28  O1a O    32.7491  -18.2700
            29  C1a C    35.1313  -21.0707
BOND        32
            1    14  15 1
            2     1   8 2
            3    15  16 2
            4     4   5 1
            5    16  17 1
            6     8   9 1
            7    17  18 2
            8    11  19 1
            9     9  10 2
            10   13  20 2
            11    5   6 1
            12   15  21 1
            13    7  11 1
            14   17  22 1
            15    6   1 1
            16    2  23 1
            17    4  12 1
            18    6  14 2
            19    8  16 1
            20   10  18 1
            21   11  12 2
            22   18  24 1
            23    3   4 2
            24   24  25 1
            25   12  13 1
            26   24  26 2
            27    2   7 2
            28    5  27 2
            29   13  14 1
            30   10  28 1
            31    2   3 1
            32   25  29 1

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