KEGG   COMPOUND: C12382Help
Entry
C12382                      Compound                               

Name
4-Demethylpremithramycinone
Formula
C20H16O9
Exact mass
400.0794
Mol weight
400.3356
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Module
M00782  Mithramycin biosynthesis, 4-demethylpremithramycinone => mithramycin
Enzyme
2.1.1.-
Other DBs
PubChem: 582772
ChEBI: 31125
3DMET: B04467
NIKKAJI: J950.690J
KCF data Show

ATOM        29
            1   O1a O    33.3282  -18.2055
            2   C1x C    28.5943  -18.2055
            3   C8y C    22.6780  -18.8669
            4   C8x C    23.8640  -18.1932
            5   C8y C    25.0497  -18.8762
            6   C8x C    26.2262  -18.2028
            7   C8y C    27.3419  -18.8762
            8   C8x C    22.6835  -20.3016
            9   C1y C    29.7837  -18.8858
            10  C1y C    30.9695  -18.2123
            11  C2y C    32.1459  -18.8858
            12  C8y C    23.8640  -20.9942
            13  C8y C    25.0402  -20.3111
            14  C8y C    26.2166  -21.0037
            15  C8y C    27.4024  -20.3207
            16  C5x C    28.5884  -21.0037
            17  C1z C    29.7741  -20.3300
            18  C5x C    30.9599  -21.0131
            19  C2y C    32.1363  -20.3300
            20  C5a C    33.3221  -21.0226
            21  C1a C    34.5081  -20.3396
            22  O1a O    23.8544  -22.3602
            23  O1a O    26.2166  -22.3698
            24  O5x O    28.5788  -22.3791
            25  O5x O    30.9506  -22.3791
            26  O5a O    33.3127  -22.3887
            27  O1a O    21.4827  -18.1932
            28  O1a O    29.7646  -21.7152
            29  O1a O    30.9599  -16.8271
BOND        32
            1     3   4 1
            2    15  16 1
            3     2   9 1
            4    16  17 1
            5     5   6 1
            6    17  18 1
            7     9  10 1
            8    18  19 1
            9    19  20 1
            10   10  11 1
            11   20  21 1
            12   11   1 1
            13   12  22 1
            14    6   7 2
            15   14  23 1
            16    8  12 1
            17   16  24 2
            18    7   2 1
            19   18  25 2
            20   12  13 2
            21   20  26 2
            22    4   5 2
            23    3  27 1
            24    5  13 1
            25    7  15 1
            26    9  17 1
            27   11  19 2
            28   13  14 1
            29    3   8 2
            30   17  28 1 #Down
            31   14  15 2
            32   10  29 1 #Down

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