KEGG   COMPOUND: C17480
Entry
C17480                      Compound                               
Name
Isofraxidin;
7-Hydroxy-6,8-dimethoxy-2H-1-benzopyran-2-one
Formula
C11H10O5
Exact mass
222.0528
Mol weight
222.19
Structure
Other DBs
CAS: 486-21-5
PubChem: 96023828
ChEBI: 81121
KNApSAcK: C00030527
NIKKAJI: J292.917A
LinkDB
KCF data

ATOM        16
            1   C8y C    25.2471  -20.7960
            2   C8y C    25.2471  -22.1922
            3   C8x C    26.4339  -22.8902
            4   C8y C    27.6206  -22.1922
            5   C8y C    27.6206  -20.7960
            6   C8y C    26.4339  -20.0980
            7   C8x C    28.8771  -22.8902
            8   C8x C    30.0638  -22.1922
            9   C8y C    30.0638  -20.7960
            10  O7x O    28.8771  -20.0980
            11  O2a O    26.4339  -18.7018
            12  O1a O    23.9906  -20.0980
            13  O2a O    23.9906  -22.8902
            14  O6a O    31.2506  -20.1678
            15  C1a C    25.2248  -18.0037
            16  C1a C    22.8041  -22.1787
BOND        17
            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     7   8 2
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    6  11 1
            13    1  12 1
            14    2  13 1
            15    9  14 2
            16   11  15 1
            17   13  16 1

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