KEGG   COMPOUND: C07600
Entry
C07600                      Compound                               
Name
Allicin;
2-Propene-1-sulfinothioic acid S-2-propenyl ester
Formula
C6H10OS2
Exact mass
162.0173
Mol weight
162.273
Structure
Pathway
map04750  Inflammatory mediator regulation of TRP channels
Other DBs
CAS: 539-86-6
PubChem: 9802
ChEBI: 28411
KNApSAcK: C00001242
NIKKAJI: J71.032F
KCF data

ATOM        9
            1   S4a S    27.3932  -19.1918
            2   S3a S    28.6011  -18.4915
            3   C1b C    26.1794  -18.4973
            4   O3c O    27.3873  -20.5981
            5   C1b C    29.8148  -19.1918
            6   C2b C    24.9714  -19.2035
            7   C2b C    31.0285  -18.4915
            8   C2a C    23.7578  -18.5032
            9   C2a C    32.2364  -19.1918
BOND        8
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 1
            6     5   7 1
            7     6   8 2
            8     7   9 2

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  All links  
Pathway (1)   
   KEGG PATHWAY (1)   
Chemical substance (5)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   KNApSAcK (1)   
   NIKKAJI (1)   
All databases (6)   

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