KEGG   COMPOUND: C22269
Entry
C22269                      Compound                               
Name
(2E)-3,7-Dimethylocta-2,6-diene-1-thiol;
Thiogeraniol
Formula
C10H18S
Exact mass
170.1129
Mol weight
170.3149
Structure
Reaction
R12580 R12582
Enzyme
2.9.1.3
Other DBs
CAS: 39067-80-6
PubChem: 405226444
LinkDB
KCF data

ATOM        11
            1   S1a S    13.8180  -17.1924
            2   C1b C    15.0057  -16.4938
            3   C2b C    16.2632  -17.1924
            4   C2c C    17.4509  -16.4938
            5   C1b C    18.6386  -17.1924
            6   C1b C    19.8962  -16.4938
            7   C2b C    21.0839  -17.1924
            8   C2c C    22.2715  -16.4938
            9   C1a C    23.5291  -17.1924
            10  C1a C    17.4509  -15.0965
            11  C1a C    22.2715  -15.0965
BOND        10
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 2
            8     8   9 1
            9     4  10 1
            10    8  11 1

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