KEGG   COMPOUND: C17821
Entry
C17821                      Compound                               
Name
2,4,5-Trimethoxy-1-allylbenzene;
gamma-Asarone
Formula
C12H16O3
Exact mass
208.1099
Mol weight
208.25
Structure
Other DBs
CAS: 5353-15-1
PubChem: 96024119
ChEBI: 81353
KNApSAcK: C00042628
NIKKAJI: J391.784C
LinkDB
KCF data

ATOM        15
            1   C8y C    14.7700  -21.4900
            2   C8y C    14.7700  -22.8900
            3   C8x C    15.9824  -23.5900
            4   C8y C    17.1949  -22.8900
            5   C8y C    17.1949  -21.4900
            6   C8x C    15.9824  -20.7900
            7   O2a O    13.5576  -20.7900
            8   C1a C    12.3621  -21.4804
            9   O2a O    13.5576  -23.5900
            10  O2a O    18.4260  -23.6010
            11  C1a C    19.6384  -22.9010
            12  C1b C    18.4260  -20.7790
            13  C2b C    19.6312  -21.4747
            14  C2a C    20.8135  -20.7919
            15  C1a C    12.3451  -22.8900
BOND        15
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     1   7 1
            8     7   8 1
            9     2   9 1
            10    4  10 1
            11   10  11 1
            12    5  12 1
            13   12  13 1
            14   13  14 2
            15    9  15 1

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