KEGG   COMPOUND: C20408Help
Entry
C20408                      Compound                               

Name
Festuclavine;
6,8-beta-Dimethylergoline
Formula
C16H20N2
Exact mass
240.1626
Mol weight
240.3434
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00901  Indole alkaloid biosynthesis
map01130  Biosynthesis of antibiotics
Enzyme
Other DBs
CAS: 569-26-6
PubChem: 163312145
ChEMBL: CHEMBL13866
KCF data Show

ATOM        18
            1   C8y C    18.6487  -18.9185
            2   C8x C    18.6528  -20.2814
            3   N4x N    16.3097  -20.2886
            4   C8y C    16.3055  -18.9256
            5   C8y C    17.4822  -18.2368
            6   C1y C    19.8157  -16.8790
            7   N1y N    20.9873  -16.1941
            8   C1a C    22.1597  -16.8651
            9   C1y C    18.6369  -16.2062
            10  C1x C    18.6333  -14.8518
            11  C1y C    19.8058  -14.1736
            12  C1a C    19.8058  -12.8245
            13  C1x C    20.9783  -14.8447
            14  C8x C    15.1196  -18.2455
            15  C8x C    15.1196  -16.8894
            16  C8x C    16.2984  -16.2113
            17  C8y C    17.5340  -16.8894
            18  C1x C    19.8216  -18.2351
BOND        21
            1     2   3 1
            2    10  11 1
            3     1   2 2
            4    11  12 1 #Up
            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 1

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