KEGG   DRUG: Sorbic acid
Entry
D05892                      Drug                                   
Name
Sorbic acid (NF)
Formula
C6H8O2
Exact mass
112.0524
Mol weight
112.13
Structure
Simcomp
Efficacy
Pharmaceutic aid (antimicrobial preservative)
Other DBs
CAS: 110-44-1
PubChem: 47207553
LigandBox: D05892
NIKKAJI: J2.449J
LinkDB
KCF data

ATOM        8
            1   O6a O    24.2897  -19.2032
            2   C6a C    25.5021  -18.5032
            3   C2b C    26.7145  -19.2032
            4   C2b C    27.9271  -18.5032
            5   C2b C    29.1395  -19.2032
            6   C2b C    30.3519  -18.5032
            7   C1a C    31.5644  -19.2032
            8   O6a O    25.5021  -17.1032
BOND        7
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     6   7 1
            7     2   8 2

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