KEGG   COMPOUND: C15095
Entry
C15095                      Compound                               
Name
Coumestrol diacetate;
3,9-Diacetoxy-6H-benzofuro[3,2-c][1]benzopyran-6-one
Formula
C19H12O7
Exact mass
352.0583
Mol weight
352.2944
Structure
Other DBs
CAS: 35826-57-4
PubChem: 17396092
ChEBI: 79614
NIKKAJI: J2.792.629K
LinkDB
KCF data

ATOM        26
            1   C8y C    15.6800   -8.8900
            2   C8y C    14.4900   -9.5900
            3   C8y C    16.7300   -9.8700
            4   C8y C    15.6800   -7.4900
            5   C8y C    13.3000   -8.8900
            6   O2x O    14.8400  -10.9900
            7   C8y C    16.1000  -11.1300
            8   C8x C    18.1300   -9.7300
            9   O7x O    14.5600   -6.7900
            10  O6a O    16.8700   -6.8600
            11  C8y C    13.3000   -7.4900
            12  C8x C    12.1100   -9.5900
            13  C8x C    16.9400  -12.2500
            14  C8x C    18.9000  -10.9200
            15  C8x C    12.1100   -6.7900
            16  C8x C    10.9200   -8.8900
            17  C8y C    18.3400  -12.1100
            18  C8y C    10.9200   -7.4900
            19  O7a O    19.1800  -13.2300
            20  O7a O     9.7300   -6.7900
            21  C7a C     8.6100   -7.4900
            22  C1a C     7.4200   -6.7900
            23  O6a O     8.6100   -8.8900
            24  C7a C    20.5800  -13.0900
            25  C1a C    21.4200  -14.2100
            26  O6a O    21.1400  -11.8300
BOND        29
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 2
            11    5  12 1
            12    7  13 1
            13    8  14 2
            14   11  15 1
            15   12  16 2
            16   13  17 2
            17   15  18 2
            18   17  19 1
            19   18  20 1
            20    6   7 1
            21    9  11 1
            22   14  17 1
            23   16  18 1
            24   20  21 1
            25   21  22 1
            26   21  23 2
            27   19  24 1
            28   24  25 1
            29   24  26 2

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