KEGG   COMPOUND: C08398
Entry
C08398                      Compound                               
Name
Capillin
Formula
C12H8O
Exact mass
168.0575
Mol weight
168.1913
Structure
Other DBs
CAS: 495-74-9
PubChem: 10594
ChEBI: 3369
KNApSAcK: C00000328
NIKKAJI: J59.802J
LinkDB
KCF data

ATOM        13
            1   C8y C    25.6200  -19.1800
            2   C5a C    26.8100  -18.4800
            3   C8x C    25.6200  -20.5800
            4   C8x C    24.3600  -18.4800
            5   C3b C    28.0000  -19.1800
            6   O5a O    26.8100  -17.0800
            7   C8x C    24.3600  -21.2800
            8   C8x C    23.1700  -19.1800
            9   C3b C    29.2600  -19.8800
            10  C8x C    23.1700  -20.5800
            11  C3b C    30.4500  -20.5800
            12  C3b C    31.6400  -21.2800
            13  C1a C    32.9000  -21.9800
BOND        13
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 2
            8     5   9 3
            9     7  10 2
            10    9  11 1
            11   11  12 3
            12   12  13 1
            13    8  10 1

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