KEGG   COMPOUND: C20457
Entry
C20457                      Compound                               
Name
6,8-Dimethyl-6,7,8,9-tetradehydroergoline
Formula
C16H17N2
Exact mass
237.1392
Mol weight
237.32
Structure
Reaction
R10229 R12094
Pathway
map00901  Indole alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.5.1.46
Other DBs
PubChem: 163312194
LinkDB
KCF data

ATOM        18
            1   C8y C    17.4659  -17.9053
            2   C8y C    17.4717  -16.5445
            3   C8y C    18.6429  -18.5951
            4   C8y C    16.2888  -18.5892
            5   C1y C    18.6546  -15.8721
            6   C8x C    16.2947  -15.8664
            7   C1x C    19.8257  -17.9241
            8   C8x C    18.6429  -19.8988
            9   N4x N    16.2830  -19.9513
            10  C8x C    15.1235  -17.9053
            11  C1y C    19.8257  -16.5620
            12  C2x C    18.5962  -14.5231
            13  C8x C    15.1235  -16.5445
            14  N2y N    21.0158  -15.9026 #+
            15  C2y C    19.8563  -13.8449
            16  C2x C    21.0275  -14.5405
            17  C1a C    22.1751  -16.5679
            18  C1a C    19.8504  -12.4840
BOND        21
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13   11  14 1
            14   12  15 2
            15   14  16 2
            16   14  17 1
            17   15  18 1
            18    7  11 1
            19    8   9 1
            20   10  13 2
            21   15  16 1

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