KEGG   COMPOUND: C12370
Entry
C12370                      Compound                               

Name
Tetracenomycin E
Formula
C22H16O8
Exact mass
408.0845
Mol weight
408.3576
Structure
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00783  Tetracenomycin C/8-demethyltetracenomycin C biosynthesis, tetracenomycin F2 => tetracenomycin C/8-demethyltetracenomycin C
Enzyme
2.1.1.-
Other DBs
PubChem: 582760
3DMET: B04457
NIKKAJI: J2.781.948F
KCF data

ATOM        30
            1   C8x C    26.3760  -15.8563
            2   C8y C    20.4600  -16.5388
            3   C8x C    21.6497  -15.8536
            4   C8y C    22.8297  -16.5388
            5   C5x C    24.0194  -15.8632
            6   C8y C    25.1993  -16.5388
            7   C8x C    20.4559  -18.0296
            8   C8y C    27.5596  -16.5484
            9   C8x C    28.7491  -15.8632
            10  C8y C    29.9292  -16.5484
            11  C8y C    21.6402  -18.7242
            12  C8y C    22.8203  -18.0390
            13  C5x C    24.0098  -18.7338
            14  C8y C    25.1899  -18.0486
            15  C8y C    26.3698  -18.7434
            16  C8y C    27.5500  -18.0582
            17  C8y C    28.7395  -18.7528
            18  C8y C    29.9292  -18.0582
            19  O1a O    21.6306  -20.0946
            20  O5x O    24.0002  -20.1042
            21  O1a O    26.3605  -20.1138
            22  C1a C    28.8001  -20.1138
            23  O2a O    19.2705  -15.8536
            24  C6a C    31.1135  -18.7457
            25  O6a O    32.3046  -18.0534
            26  O6a O    31.0462  -20.1161
            27  O5x O    24.0098  -14.4928
            28  O2a O    31.1091  -15.8728
            29  C1a C    18.0817  -16.5406
            30  C1a C    32.3044  -16.5689
BOND        33
            1     1   8 2
            2    15  16 2
            3     4   5 1
            4    16  17 1
            5     8   9 1
            6    17  18 2
            7    11  19 1
            8     9  10 2
            9    13  20 2
            10    5   6 1
            11   15  21 1
            12    7  11 1
            13   17  22 1
            14    6   1 1
            15    2  23 1
            16    4  12 1
            17    6  14 2
            18    8  16 1
            19   10  18 1
            20   11  12 2
            21   18  24 1
            22    3   4 2
            23   24  25 1
            24   12  13 1
            25   24  26 2
            26    2   7 2
            27    5  27 2
            28   13  14 1
            29   10  28 1
            30    2   3 1
            31   23  29 1
            32   14  15 1
            33   28  30 1

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