KEGG   COMPOUND: C12378Help
Entry
C12378                      Compound                               

Name
Tetracenomycin B2;
8-Demethyltetracenomycin A2
Formula
C22H16O8
Exact mass
408.0845
Mol weight
408.3576
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
1.14.13.200     2.1.1.-
Other DBs
PubChem: 582768
ChEBI: 32199
3DMET: B04464
NIKKAJI: J1.445.650C
LinkDB All DBs
KCF data Show

ATOM        30
            1   C8x C    25.7357  -15.8196
            2   C8y C    19.8184  -16.4929
            3   C8x C    21.0084  -15.8169
            4   C8y C    22.1885  -16.4929
            5   C5x C    23.3785  -15.8265
            6   C8y C    24.5587  -16.5022
            7   C8x C    19.8143  -17.9934
            8   C8y C    26.9195  -16.5118
            9   C8x C    28.1092  -15.8265
            10  C8y C    29.2896  -16.5118
            11  C8y C    20.9988  -18.6788
            12  C8y C    22.1792  -18.0028
            13  C5x C    23.3689  -18.6882
            14  C8y C    24.5493  -18.0124
            15  C8y C    25.7295  -18.6978
            16  C8y C    26.9799  -18.0220
            17  C8y C    28.0996  -18.7073
            18  C8y C    29.2896  -18.0220
            19  O1a O    20.9892  -20.0495
            20  O5x O    23.3593  -20.0588
            21  O1a O    25.7295  -20.0684
            22  C1a C    28.0903  -20.0684
            23  O2a O    18.6286  -15.8169
            24  C7a C    30.4741  -18.7000
            25  O7a O    31.6655  -18.0172
            26  O6a O    30.4769  -20.0707
            27  O5x O    23.3689  -14.4558
            28  O1a O    30.4698  -15.8361
            29  C1a C    17.4396  -16.5041
            30  C1a C    32.8751  -18.7204
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   25  30 1

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