KEGG   COMPOUND: C16758
Entry
C16758                      Compound                               
Name
(E)-Ajoene
Formula
C9H14OS3
Exact mass
234.0207
Mol weight
234.4019
Structure
Other DBs
CAS: 92284-99-6
PubChem: 96023282
ChEBI: 80708
NIKKAJI: J468.837F
LinkDB
KCF data

ATOM        13
            1   C2a C    17.4300  -18.9700
            2   C2b C    18.6200  -18.2700
            3   C1b C    19.8100  -18.9700
            4   S4a S    21.0000  -18.2700
            5   C1b C    22.2600  -18.9700
            6   O3c O    21.0000  -16.8700
            7   C2b C    23.4724  -18.2700
            8   C2b C    24.6849  -18.9700
            9   S3a S    25.8973  -18.2700
            10  S3a S    27.1097  -18.9700
            11  C1b C    28.3222  -18.2700
            12  C2b C    29.5346  -18.9700
            13  C2a C    30.7470  -18.2700
BOND        12
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     4   6 2
            6     5   7 1
            7     7   8 2
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 2

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