KEGG   COMPOUND: C08369
Entry
C08369                      Compound                               
Name
Diallyl disulfide
Formula
C6H10S2
Exact mass
146.0224
Mol weight
146.2736
Structure
Other DBs
CAS: 2179-57-9
PubChem: 10565
ChEBI: 4488
KNApSAcK: C00001243
NIKKAJI: J1.800G
LinkDB
KCF data

ATOM        8
            1   S3a S    27.3943  -19.8794
            2   S3a S    28.6057  -19.1806
            3   C1b C    26.1828  -19.1806
            4   C1b C    29.8172  -19.8794
            5   C2b C    24.9715  -19.8794
            6   C2b C    31.0285  -19.1806
            7   C2a C    23.7543  -19.1806
            8   C2a C    32.2457  -19.8794
BOND        7
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     5   7 2
            7     6   8 2

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