KEGG   COMPOUND: C12369Help
Entry
C12369                      Compound                               

Name
Tetracenomycin B3
Formula
C21H14O8
Exact mass
394.0689
Mol weight
394.3311
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Module
M00783  Tetracenomycin C/8-demethyltetracenomycin C biosynthesis, tetracenomycin F2 => tetracenomycin C/8-demethyltetracenomycin C
Enzyme
2.1.1.-
Other DBs
CAS: 117241-62-0
PubChem: 582759
ChEBI: 32200
KNApSAcK: C00017936
3DMET: B04456
NIKKAJI: J575.134I
KCF data Show

ATOM        29
            1   C8x C    26.3560  -15.8334
            2   C8y C    20.4452  -16.5153
            3   C8x C    21.6339  -15.8307
            4   C8y C    22.8127  -16.5153
            5   C5x C    24.0014  -15.8403
            6   C8y C    25.1803  -16.5153
            7   C8x C    20.4411  -18.0048
            8   C8y C    27.5386  -16.5249
            9   C8x C    28.7270  -15.8403
            10  C8y C    29.9061  -16.5249
            11  C8y C    21.6243  -18.6988
            12  C8y C    22.8034  -18.0142
            13  C5x C    23.9919  -18.7084
            14  C8y C    25.1710  -18.0238
            15  C8y C    26.3499  -18.7180
            16  C8y C    27.5290  -18.0334
            17  C8y C    28.7174  -18.7273
            18  C8y C    29.9061  -18.0334
            19  O1a O    21.6147  -20.0680
            20  O5x O    23.9823  -20.0776
            21  O1a O    26.3405  -20.0872
            22  C1a C    28.7081  -20.0872
            23  O2a O    19.2567  -15.8307
            24  C6a C    31.0894  -18.7202
            25  O6a O    32.2794  -18.0286
            26  O6a O    31.0921  -20.0894
            27  O5x O    23.9919  -14.4711
            28  O1a O    31.0850  -15.8499
            29  C1a C    18.0689  -16.5171
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   23  29 1

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