KEGG   COMPOUND: C17846Help
Entry
C17846                      Compound                               

Name
alpha-Asaron
Formula
C12H16O3
Exact mass
208.1099
Mol weight
208.2536
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 2883-98-9
PubChem: 96024129
ChEBI: 78309
ChEMBL: CHEMBL333306
KNApSAcK: C00042219
NIKKAJI: J70.975A
LinkDB All DBs
KCF data Show

ATOM        15
            1   C8y C    15.6800  -19.8800
            2   C8y C    15.6800  -21.2800
            3   C8x C    16.8924  -21.9800
            4   C8y C    18.1049  -21.2800
            5   C8y C    18.1049  -19.8800
            6   C8x C    16.8924  -19.1800
            7   C2b C    19.3360  -19.1690
            8   C2b C    20.5412  -19.8647
            9   C1a C    21.7235  -19.1819
            10  O2a O    19.3360  -21.9910
            11  C1a C    20.5412  -21.2953
            12  O2a O    14.4676  -21.9800
            13  C1a C    13.2721  -21.2896
            14  O2a O    14.4676  -19.1800
            15  C1a C    13.2721  -19.8704
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     5   7 1
            8     7   8 2
            9     8   9 1
            10    4  10 1
            11   10  11 1
            12    2  12 1
            13   12  13 1
            14    1  14 1
            15   14  15 1

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