KEGG   DRUG: Anethole
Entry
D02377                      Drug                                   
Name
Anethole (NF)
Formula
C10H12O
Exact mass
148.0888
Mol weight
148.20
Structure
Simcomp
Source
Foeniculum vulgare [TAX:48038]
Remark
Same as: C10428
Efficacy
Pharmaceutic aid (flavor)
Comment
Anethole: major constituent of Fennel
Phenylpropanoid
Other DBs
CAS: 104-46-1
PubChem: 7849436
LigandBox: D02377
NIKKAJI: J4.026F
LinkDB
KCF data

ATOM        11
            1   C8y C    21.8167  -16.6951
            2   C8x C    21.8167  -18.0951
            3   C8x C    20.6150  -15.9950
            4   C2b C    23.0243  -15.9950
            5   C8x C    20.6150  -18.8008
            6   C8x C    19.3958  -16.6951
            7   C2b C    24.2376  -16.6834
            8   C8y C    19.3958  -18.0951
            9   C1a C    25.4509  -15.9891
            10  O2a O    18.1825  -18.8008
            11  C1a C    16.9633  -18.0951
BOND        11
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 2
            7     5   8 2
            8     7   9 1
            9     8  10 1
            10   10  11 1
            11    6   8 1

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