KEGG   COMPOUND: C20506
Entry
C20506                      Compound                               

Name
Versiconol acetate
Formula
C20H18O9
Exact mass
402.0951
Mol weight
402.3515
Structure
Reaction
Pathway
map00254  Aflatoxin biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.1.1.353       3.1.1.94
Other DBs
CAS: 70979-72-5
PubChem: 172232255
KCF data

ATOM        29
            1   C8x C    12.6996  -17.0444
            2   C8y C    12.6996  -18.4472
            3   C8x C    13.8919  -19.1485
            4   C8y C    15.1544  -18.4472
            5   C8y C    15.1544  -17.0444
            6   C8y C    13.8919  -16.3430
            7   C5x C    16.3467  -19.1485
            8   C8y C    17.5391  -18.4472
            9   C8y C    17.5391  -17.0444
            10  C5x C    16.3467  -16.3430
            11  C8x C    18.8015  -19.1485
            12  C8y C    19.9939  -18.4472
            13  C8y C    19.9939  -17.0444
            14  C8y C    18.8015  -16.3430
            15  O5x O    16.3467  -14.9403
            16  O5x O    16.3467  -20.5513
            17  O1a O    13.8919  -14.9403
            18  O1a O    11.5073  -19.1485
            19  O1a O    18.8015  -14.9403
            20  C1b C    22.1681  -17.7458
            21  C1c C    21.3265  -16.6236
            22  O1a O    23.5709  -17.7458
            23  C1b C    21.6772  -15.2910
            24  C1b C    23.0098  -14.9403
            25  O7a O    23.4306  -13.5376
            26  C7a C    24.7632  -13.1869
            27  C1a C    25.1139  -11.8543
            28  O6a O    25.7451  -14.1688
            29  O1a O    21.1862  -19.1485
BOND        31
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 1
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16    9  14 1
            17   10  15 2
            18    7  16 2
            19    6  17 1
            20    2  18 1
            21   14  19 1
            22   21  20 1 #Down
            23   13  21 1
            24   20  22 1
            25   21  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   26  28 2
            31   12  29 1

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