KEGG   COMPOUND: C12299Help
Entry
C12299                      Compound                               

Name
Cinnamyl acetate;
3-Phenyl-2-propenyl acetate
Formula
C11H12O2
Exact mass
176.0837
Mol weight
176.2118
Structure
Mol fileKCF fileDB search
Reaction
Enzyme
Other DBs
CAS: 103-54-8
PubChem: 582690
ChEBI: 31402
KNApSAcK: C00035072
NIKKAJI: J4.022C
LinkDB All DBs
KCF data Show

ATOM        13
            1   C8x C    23.5702  -19.0776
            2   C8x C    23.6060  -20.4787
            3   C8x C    24.7315  -21.2149
            4   C8x C    25.9604  -20.5465
            5   C8y C    26.0008  -19.1421
            6   C8x C    24.8062  -18.4094
            7   C2b C    27.2250  -18.4736
            8   C2b C    28.4144  -19.2026
            9   C1b C    29.6441  -18.5343
            10  O7a O    30.8397  -19.2600
            11  C7a C    32.0694  -18.5917
            12  C1a C    33.2588  -19.3207
            13  O6a O    32.0305  -17.1905
BOND        13
            1     5   7 1
            2     1   2 1
            3     7   8 2
            4     2   3 2
            5     8   9 1
            6     3   4 1
            7     9  10 1
            8     4   5 2
            9    10  11 1
            10    5   6 1
            11   11  12 1
            12    6   1 2
            13   11  13 2

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