KEGG   COMPOUND: C16947
Entry
C16947                      Compound                               
Name
Decanoyl acetaldehyde
Formula
C12H22O2
Exact mass
198.162
Mol weight
198.3019
Structure
Other DBs
CAS: 56505-80-7
PubChem: 96023435
ChEBI: 179325 80815
NIKKAJI: J2.155.050G
LinkDB
KCF data

ATOM        14
            1   O4a O    20.2917  -22.1134
            2   C4a C    21.4875  -21.4100
            3   C1b C    22.6832  -22.1134
            4   C5a C    23.9493  -21.4100
            5   C1b C    25.1451  -22.1134
            6   C1b C    26.3408  -21.4100
            7   C1b C    27.5366  -22.1134
            8   C1b C    28.8027  -21.4100
            9   C1b C    29.9984  -22.1134
            10  C1b C    31.1942  -21.4100
            11  C1b C    32.4602  -22.1134
            12  C1b C    33.6560  -21.4100
            13  O5a O    23.9493  -20.0736
            14  C1a C    34.9220  -22.1838
BOND        13
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12    4  13 2
            13   12  14 1

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