KEGG   COMPOUND: C10667
Entry
C10667                      Compound                               
Name
3-Acetyl-6-methoxybenzaldehyde
Formula
C10H10O3
Exact mass
178.063
Mol weight
178.1846
Structure
Other DBs
CAS: 531-99-7
PubChem: 12850
KNApSAcK: C00000171
3DMET: B04043
NIKKAJI: J7.421G
LinkDB
KCF data

ATOM        13
            1   C8x C    25.5733  -18.8020
            2   C8x C    25.5733  -20.2030
            3   C8y C    26.7834  -20.9069
            4   C8y C    27.9934  -20.2030
            5   C8x C    27.9934  -18.8020
            6   C8y C    26.7834  -18.1050
            7   C5a C    26.7851  -16.7040
            8   C1a C    28.0003  -16.0016
            9   O5a O    25.5787  -15.9985
            10  O2a O    26.7851  -22.3080
            11  C4a C    29.2082  -20.9061
            12  O4a O    29.2092  -22.3071
            13  C1a C    25.5787  -23.0064
BOND        13
            1     6   7 1
            2     1   2 2
            3     7   8 1
            4     2   3 1
            5     7   9 2
            6     3   4 2
            7     3  10 1
            8     4   5 1
            9     4  11 1
            10    5   6 2
            11   11  12 2
            12    6   1 1
            13   10  13 1

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