KEGG   COMPOUND: C16211
Entry
C16211                      Compound                               

Name
6,7-Benzocoumarin
Formula
C13H8O2
Exact mass
196.0524
Mol weight
196.2014
Structure
Reaction
Pathway
map00624  Polycyclic aromatic hydrocarbon degradation
Other DBs
PubChem: 47205519
ChEBI: 80382
NIKKAJI: J883.001K
KCF data

ATOM        15
            1   C8x C    13.1600  -15.5400
            2   C8x C    13.1600  -16.9400
            3   C8x C    14.3724  -17.6400
            4   C8y C    15.5849  -16.9400
            5   C8y C    15.5849  -15.5400
            6   C8x C    14.3724  -14.8400
            7   C8x C    16.7973  -17.6400
            8   C8y C    18.0097  -16.9400
            9   C8y C    18.0097  -15.5400
            10  C8x C    16.7973  -14.8400
            11  C8x C    19.2222  -17.6400
            12  C8x C    20.4346  -16.9400
            13  C8y C    20.4346  -15.5400
            14  O7x O    19.2222  -14.8400
            15  O6a O    21.6511  -14.8377
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 2
            11    5  10 1
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 1
            16    9  14 1
            17   13  15 2

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