KEGG   DRUG: Phenylpropanol
Entry
D01470                      Drug                                   
Name
Phenylpropanol (JAN)
Formula
C9H12O
Exact mass
136.0888
Mol weight
136.191
Structure
Simcomp
Efficacy
Pharmaceutic aid (flavor, solvent)
Other DBs
CAS: 93-54-9
PubChem: 7848533
ChEBI: 31995
LigandBox: D01470
NIKKAJI: J4.678G
LinkDB
KCF data

ATOM        10
            1   C8x C    15.5400  -21.0700
            2   C8x C    15.5400  -22.4700
            3   C8x C    16.7524  -23.1700
            4   C8x C    17.9649  -22.4700
            5   C8y C    17.9649  -21.0700
            6   C8x C    16.7524  -20.3700
            7   C1c C    19.1960  -20.3590
            8   C1b C    20.4012  -21.0547
            9   O1a O    19.1957  -18.9701
            10  C1a C    21.5835  -20.3719
BOND        10
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     7   9 1
            10    8  10 1

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