KEGG   COMPOUND: C03352
Entry
C03352                      Compound                               
Name
3-Methoxybenzyl alcohol;
3-Anise alcohol;
3-Anisyl alcohol
Formula
C8H10O2
Exact mass
138.0681
Mol weight
138.1638
Structure
Other DBs
CAS: 6971-51-3
PubChem: 6193
ChEBI: 1580
NIKKAJI: J8.869B
KCF data

ATOM        10
            1   C8x C    26.4632  -16.3717
            2   C8y C    25.2398  -15.6737
            3   C8y C    26.4632  -17.7808
            4   C8x C    24.0356  -16.3717
            5   C1b C    25.2398  -14.2838
            6   C8x C    25.2398  -18.4918
            7   O2a O    27.6673  -18.4727
            8   C8x C    24.0356  -17.7808
            9   O1a O    26.4440  -13.5855
            10  C1a C    28.8778  -17.7745
BOND        10
            1     1   2 1
            2     1   3 2
            3     2   4 2
            4     2   5 1
            5     3   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     7  10 1
            10    6   8 2

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