KEGG   COMPOUND: C18838Help
Entry
C18838                      Compound                               

Name
Dehydrogriseofulvin
Formula
C17H15ClO6
Exact mass
350.0557
Mol weight
350.7504
Structure
Mol fileKCF fileDB search
Pathway
map01130  Biosynthesis of antibiotics
Other DBs
PubChem: 124489512
ChEBI: 81999
KCF data Show

ATOM        24
            1   C8x C    43.1307  -18.3899
            2   C8y C    43.1307  -19.8037
            3   C8y C    44.4029  -20.5106
            4   C8y C    45.6045  -19.8037
            5   C8y C    45.6045  -18.3899
            6   C8y C    44.4029  -17.6831
            7   O2x O    46.9476  -20.2278
            8   C1z C    47.7959  -19.0968
            9   C5x C    46.9476  -17.9659
            10  C2y C    48.5027  -20.3692
            11  C2x C    49.9164  -20.3692
            12  C5x C    50.6232  -19.0968
            13  C2x C    49.9164  -17.8952
            14  C2y C    48.5027  -17.8952
            15  O2a O    44.4029  -16.2694
            16  C1a C    43.1307  -15.5626
            17  O2a O    41.9996  -20.5106
            18  C1a C    40.7981  -19.8037
            19  X   Cl   44.4029  -21.9242
            20  O5x O    46.9476  -16.5522
            21  O2a O    48.5027  -16.4815
            22  C1a C    49.7043  -15.7747
            23  O5x O    52.0368  -19.0968
            24  C1a C    48.5027  -21.7829
BOND        26
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     5   9 1
            9     8  10 1
            10   10  11 2
            11   11  12 1
            12   12  13 1
            13   13  14 2
            14    8  14 1
            15    6  15 1
            16   15  16 1
            17    2  17 1
            18   17  18 1
            19    3  19 1
            20    9  20 2
            21   14  21 1
            22   21  22 1
            23   12  23 2
            24    8   9 1 #Up
            25    8   7 1 #Down
            26   10  24 1

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