KEGG   COMPOUND: C18081
Entry
C18081                      Compound                               
Name
Sphondin
Formula
C12H8O4
Exact mass
216.0423
Mol weight
216.1895
Structure
Other DBs
CAS: 483-66-9
PubChem: 96024298
ChEBI: 81486
NIKKAJI: J274.742A
LinkDB
KCF data

ATOM        16
            1   C8y C    31.6400  -24.0800
            2   C8y C    31.6400  -25.4800
            3   C8y C    32.8300  -26.1800
            4   C8y C    34.0900  -25.4800
            5   C8y C    34.0900  -24.0800
            6   C8x C    32.8300  -23.3800
            7   O7x O    35.2800  -26.1800
            8   C8y C    36.4700  -25.4800
            9   C8x C    36.4700  -24.0800
            10  C8x C    35.2800  -23.3800
            11  O6a O    37.7300  -26.1800
            12  O2x O    30.5900  -26.3900
            13  C8x C    31.1500  -27.7200
            14  C8x C    32.5500  -27.5800
            15  O2a O    30.4500  -23.3800
            16  C1a C    29.2600  -24.0800
BOND        18
            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 1
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    8  11 2
            13    2  12 1
            14   12  13 1
            15   13  14 2
            16    3  14 1
            17    1  15 1
            18   15  16 1

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