KEGG   COMPOUND: C12375
Entry
C12375                      Compound                               

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

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

» Japanese version

DBGET integrated database retrieval system