KEGG   COMPOUND: C22607
Entry
C22607                      Compound                               
Name
Isourolithin A
Formula
C13H8O4
Exact mass
228.0423
Mol weight
228.20
Structure
Brite
Dietary phytochemicals [br08012.html]
 Other phytochemicals
  C22607
Other DBs
PubChem: 497619966
LinkDB
KCF data

ATOM        17
            1   C8x C    15.8289  -15.9697
            2   C8y C    17.2300  -15.9697
            3   C8y C    17.9305  -14.7564
            4   C8x C    17.2300  -13.5430
            5   C8x C    15.8289  -13.5430
            6   C8y C    15.1284  -14.7564
            7   O7x O    17.9305  -17.1830
            8   C8y C    19.3315  -17.1830
            9   C8y C    20.0321  -15.9697
            10  C8y C    19.3315  -14.7564
            11  C8x C    21.4331  -15.9697
            12  C8x C    22.1336  -14.7564
            13  C8y C    21.4331  -13.5430
            14  C8x C    20.0321  -13.5430
            15  O1a O    13.7276  -14.7564
            16  O6a O    20.0225  -18.3794
            17  O1a O    22.1444  -12.3120
BOND        19
            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     2   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    3  10 1
            12    9  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   10  14 2
            17    6  15 1
            18    8  16 2
            19   13  17 1

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