KEGG   COMPOUND: C10427
Entry
C10427                      Compound                               
Name
1'-Acetoxyeugenol acetate
Formula
C14H16O5
Exact mass
264.0998
Mol weight
264.2738
Structure
Other DBs
CAS: 53890-24-7
PubChem: 12612
ChEBI: 470
KNApSAcK: C00002712
3DMET: B03835
NIKKAJI: J788.347A
LinkDB
KCF data

ATOM        19
            1   C8y C    30.0583  -16.9636
            2   C1c C    31.2650  -16.2581
            3   C8x C    30.0583  -18.3684
            4   C8x C    28.8457  -16.2581
            5   O7a O    31.2591  -14.8590
            6   C2b C    32.4717  -16.9576
            7   C8y C    28.8457  -19.0621
            8   C8x C    27.6276  -16.9636
            9   C7a C    30.0467  -14.1597
            10  C2a C    33.6784  -16.2524
            11  C8y C    27.6276  -18.3684
            12  O2a O    28.8457  -20.4670
            13  C1a C    28.8343  -14.8590
            14  O6a O    30.0408  -12.7606
            15  O7a O    26.4150  -19.0621
            16  C1a C    27.6333  -21.1722
            17  C7a C    25.2025  -18.3684
            18  C1a C    24.0016  -19.0621
            19  O6a O    25.2025  -16.9636
BOND        19
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1 #Up
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     6  10 2
            10    7  11 2
            11    7  12 1
            12    9  13 1
            13    9  14 2
            14   11  15 1
            15   12  16 1
            16   15  17 1
            17   17  18 1
            18   17  19 2
            19    8  11 1

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