KEGG   COMPOUND: C08370
Entry
C08370                      Compound                               
Name
Diallyl sulfide;
Allyl sulfide
Formula
C6H10S
Exact mass
114.0503
Mol weight
114.21
Structure
Other DBs
CAS: 592-88-1
PubChem: 10566
ChEBI: 4489
KNApSAcK: C00001244
NIKKAJI: J6.765B
LinkDB
KCF data

ATOM        7
            1   S2a S    28.0000  -19.8568
            2   C1b C    26.7864  -19.1624
            3   C1b C    29.2136  -19.1624
            4   C2b C    25.5669  -19.8568
            5   C2b C    30.4331  -19.8568
            6   C2a C    24.3531  -19.1624
            7   C2a C    31.6469  -19.1624
BOND        6
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 2
            6     5   7 2

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