KEGG   COMPOUND: C17854
Entry
C17854                      Compound                               
Name
Butylphthalide
Formula
C12H14O2
Exact mass
190.0994
Mol weight
190.2384
Structure
Other DBs
CAS: 6066-49-5
PubChem: 163311856
ChEBI: 177504
LinkDB
KCF data

ATOM        14
            1   C8x C    20.8600  -24.0800
            2   C8x C    20.8600  -25.4800
            3   C8x C    22.0500  -26.1800
            4   C8y C    23.3100  -25.4800
            5   C8y C    23.3100  -24.0800
            6   C8x C    22.0500  -23.3800
            7   C1y C    24.6400  -25.9000
            8   O7x O    25.4800  -24.7800
            9   C7x C    24.6400  -23.6600
            10  C1b C    25.9000  -26.6000
            11  C1b C    27.0900  -25.9000
            12  C1b C    28.2800  -26.6000
            13  C1a C    29.4700  -25.9000
            14  O6a O    24.6400  -22.2600
BOND        15
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    7  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15    9  14 2

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