KEGG   COMPOUND: C10430
Entry
C10430                      Compound                               
Name
beta-Asarone;
cis-Asarone;
(Z)-1-(2,4,5-Trimethoxyphenyl)-1-propene
Formula
C12H16O3
Exact mass
208.1099
Mol weight
208.25
Structure
Other DBs
CAS: 5273-86-9
PubChem: 12615
ChEBI: 10353
KNApSAcK: C00002715
NIKKAJI: J236.255D
LinkDB
KCF data

ATOM        15
            1   C8y C    29.1941  -18.1548
            2   C8y C    29.1884  -19.5524
            3   C8x C    27.9828  -17.4500
            4   C2b C    30.4114  -17.4559
            5   C8x C    27.9828  -20.2513
            6   O2a O    30.3997  -20.2573
            7   C8y C    26.7655  -18.1548
            8   C2b C    31.6229  -18.1605
            9   C8y C    26.7655  -19.5524
            10  C1a C    30.3823  -21.6492
            11  O2a O    25.5542  -17.4500
            12  C1a C    31.6170  -19.5641
            13  O2a O    25.5542  -20.2513
            14  C1a C    24.3426  -18.1489
            15  C1a C    24.3426  -19.5524
BOND        15
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 2
            8     5   9 2
            9     6  10 1
            10    7  11 1
            11    8  12 1
            12    9  13 1
            13   11  14 1
            14   13  15 1
            15    7   9 1

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