KEGG   COMPOUND: C20409
Entry
C20409                      Compound                               
Name
6,8-Dimethyl-6,7-didehydroergoline
Formula
C16H19N2
Exact mass
239.1548
Mol weight
239.33
Structure
Reaction
R10163 R12091
Pathway
map00901  Indole alkaloid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00964  Fumigaclavine biosynthesis, chanoclavine-I aldehyde => fumigaclavine C
Enzyme
1.5.1.44
Other DBs
PubChem: 163312146
LinkDB
KCF data

ATOM        18
            1   C8y C    18.6145  -18.5338
            2   C8x C    18.6186  -19.8942
            3   N4x N    16.2798  -19.9014
            4   C8y C    16.2756  -18.5409
            5   C8y C    17.4502  -17.8534
            6   C1y C    19.7794  -16.4981
            7   N2y N    20.9488  -15.8144 #+
            8   C1a C    22.1191  -16.4842
            9   C1y C    18.6028  -15.8265
            10  C1x C    18.5992  -14.4746
            11  C1y C    19.7695  -13.7976
            12  C1a C    19.7695  -12.4510
            13  C2x C    20.9399  -14.4675
            14  C8x C    15.0919  -17.8621
            15  C8x C    15.0919  -16.5085
            16  C8x C    16.2685  -15.8316
            17  C8y C    17.4319  -16.5085
            18  C1x C    19.7853  -17.8517
BOND        21
            1     2   3 1
            2    10  11 1
            3     1   2 2
            4    11  12 1
            5    11  13 1
            6     6   7 1
            7     3   4 1
            8     7   8 1
            9    14  15 2
            10   15  16 1
            11   16  17 2
            12    4  14 1
            13    4   5 2
            14    5   1 1
            15    5  17 1
            16   17   9 1
            17    9   6 1
            18    6  18 1
            19   18   1 1
            20    9  10 1
            21    7  13 2

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