KEGG   COMPOUND: C23129
Entry
C23129                      Compound                               
Name
5-Bromoskatole;
5-Bromo-3-methyl-1H-indole
Formula
C9H8BrN
Exact mass
208.9840
Mol weight
210.07
Structure
Reaction
R13634
Pathway
map00997  Biosynthesis of various other secondary metabolites
map01110  Biosynthesis of secondary metabolites
Enzyme
1.3.3.18
Other DBs
PubChem: 522705645
LinkDB
KCF data

ATOM        11
            1   C8y C    17.0387  -16.1270
            2   C8y C    18.3709  -16.4075
            3   C8y C    16.3375  -17.3190
            4   C8x C    16.3375  -14.8649
            5   C1a C    19.4227  -15.5661
            6   N4x N    17.1789  -18.3708
            7   C8x C    14.8650  -17.3190
            8   C8y C    14.9351  -14.8649
            9   C8x C    14.1638  -16.1270
            10  C8x C    18.3709  -17.8098
            11  X   Br   14.2340  -13.6028
BOND        12
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 1
            7     4   8 2
            8     7   9 2
            9     8   9 1
            10    2  10 2
            11   10   6 1
            12    8  11 1

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