KEGG   COMPOUND: C22678
Entry
C22678                      Compound                               
Name
Naucledal
Formula
C10H12O4
Exact mass
196.0736
Mol weight
196.1999
Structure
Brite
Dietary phytochemicals [br08012.html]
 Other phytochemicals
  C22678
LinkDB
KCF data

ATOM        14
            1   O2x O    17.1285  -14.9612
            2   C1y C    17.1285  -16.2895
            3   C1y C    18.3171  -16.9886
            4   C1y C    19.4357  -16.2895
            5   C2y C    19.4357  -14.9612
            6   C2x C    18.3171  -14.2621
            7   C1x C    20.6242  -16.9886
            8   C1x C    21.8126  -16.2895
            9   O7x O    21.8126  -14.9612
            10  C7x C    20.6242  -14.2621
            11  O6a O    20.6242  -12.9337
            12  C4a C    18.3171  -18.3171
            13  C1a C    15.4506  -16.8488
            14  O4a O    17.2683  -19.0162
BOND        15
            1     1   2 1
            2     2   3 1
            3     3   4 1
            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 1
            11    5  10 1
            12   10  11 2
            13    3  12 1 #Down
            14    2  13 1 #Up
            15   12  14 2

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