KEGG   COMPOUND: C20505Help
Entry
C20505                      Compound                               

Name
Versiconal hemiacetal acetate
Formula
C20H16O9
Exact mass
400.0794
Mol weight
400.3356
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00254  Aflatoxin biosynthesis
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Enzyme
1.1.1.353       3.1.1.94
Other DBs
PubChem: 172232254
KCF data Show

ATOM        29
            1   C8x C    12.6939  -17.0378
            2   C8y C    12.6939  -18.4400
            3   C8x C    13.8858  -19.1411
            4   C8y C    15.1478  -18.4400
            5   C8y C    15.1478  -17.0378
            6   C8y C    13.8858  -16.3367
            7   C5x C    16.3397  -19.1411
            8   C8y C    17.5315  -18.4400
            9   C8y C    17.5315  -17.0378
            10  C5x C    16.3397  -16.3367
            11  C8x C    18.7935  -19.1411
            12  C8y C    19.9854  -18.4400
            13  C8y C    19.9854  -17.0378
            14  C8y C    18.7935  -16.3367
            15  O5x O    16.3397  -14.9345
            16  O5x O    16.3397  -20.5433
            17  O1a O    13.8858  -14.9345
            18  O1a O    11.5020  -19.1411
            19  O1a O    18.7935  -14.9345
            20  O2x O    21.3175  -18.8607
            21  C1y C    22.1588  -17.7389
            22  C1y C    21.3175  -16.6171
            23  O1a O    23.5611  -17.7389
            24  C1b C    21.6681  -15.2850
            25  C1b C    23.0002  -14.9345
            26  O7a O    23.4208  -13.5322
            27  C7a C    24.7529  -13.1817
            28  C1a C    25.1035  -11.8496
            29  O6a O    25.7345  -14.1632
BOND        32
            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   12  20 1
            23   20  21 1
            24   21  22 1
            25   13  22 1
            26   21  23 1 #Up
            27   22  24 1 #Down
            28   24  25 1
            29   25  26 1
            30   26  27 1
            31   27  28 1
            32   27  29 2

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