KEGG   COMPOUND: C17663
Entry
C17663                      Compound                               
Name
3-Phenylpropyl acetate;
Hydrocinnamyl acetate
Formula
C11H14O2
Exact mass
178.0994
Mol weight
178.2277
Structure
Other DBs
CAS: 122-72-5
PubChem: 96024006
ChEBI: 81257
NIKKAJI: J5.534D
KCF data

ATOM        13
            1   C8x C    22.5980  -26.2370
            2   C8x C    22.5980  -27.6362
            3   C8x C    23.8097  -28.3358
            4   C8x C    25.0214  -27.6362
            5   C8y C    25.0214  -26.2370
            6   C8x C    23.8097  -25.5374
            7   C1b C    26.2582  -25.5374
            8   C1b C    27.4700  -26.2370
            9   C1b C    28.6817  -25.5374
            10  O7a O    29.8933  -26.2370
            11  C7a C    31.1051  -25.5374
            12  C1a C    32.3168  -26.2370
            13  O6a O    31.1051  -24.1386
BOND        13
            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     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   11  13 2

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Chemical substance (7)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   MASSBANK (3)   
   NIKKAJI (1)   
All databases (7)   

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