KEGG   DRUG: Guaietolin
Entry
D08028                      Drug                                   
Name
Guaietolin (INN);
Guethral;
Guethural (TN)
Formula
C11H16O4
Exact mass
212.1049
Mol weight
212.2423
Structure
Simcomp
Efficacy
Expectorant, Mucolytic
Other DBs
CAS: 63834-83-3
PubChem: 96024721
LigandBox: D08028
NIKKAJI: J19.455G
LinkDB
KCF data

ATOM        15
            1   C8x C    20.9300  -25.4800
            2   C8x C    20.9300  -26.8800
            3   C8x C    22.1424  -27.5800
            4   C8x C    23.3549  -26.8800
            5   C8y C    23.3549  -25.4800
            6   C8y C    22.1424  -24.7800
            7   O2a O    22.1424  -23.3802
            8   C1b C    20.9132  -22.6703
            9   C1a C    19.7092  -23.3654
            10  O2a O    24.5860  -24.7690
            11  C1b C    25.7912  -25.4647
            12  C1c C    26.9735  -24.7819
            13  C1b C    28.1675  -25.4712
            14  O1a O    29.3554  -24.7852
            15  O1a O    26.9735  -23.3802
BOND        15
            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     6   7 1
            8     7   8 1
            9     8   9 1
            10    5  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   12  15 1

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