KEGG   COMPOUND: C17875
Entry
C17875                      Compound                               
Name
Sedanonic acid lactone
Formula
C12H16O2
Exact mass
192.115
Mol weight
192.2542
Structure
Other DBs
PubChem: 163311876
ChEBI: 133890
LinkDB
KCF data

ATOM        14
            1   C1x C    10.5700  -21.4900
            2   C1x C    10.5700  -22.8900
            3   C1x C    11.7824  -23.5900
            4   C2y C    12.9949  -22.8900
            5   C2y C    12.9949  -21.4900
            6   C1x C    11.7824  -20.7900
            7   C2y C    14.3264  -23.3226
            8   O7x O    15.1493  -22.1900
            9   C7x C    14.3264  -21.0574
            10  O6a O    14.3264  -19.6574
            11  C2b C    14.3264  -24.7226
            12  C1b C    15.5388  -25.4226
            13  C1b C    16.7576  -24.7190
            14  C1a C    17.9453  -25.4050
BOND        15
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    9  10 2
            12    7  11 2
            13   11  12 1
            14   12  13 1
            15   13  14 1

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