KEGG   COMPOUND: C07541
Entry
C07541                      Compound                               
Name
Lysergic acid
Formula
C16H16N2O2
Exact mass
268.1212
Mol weight
268.3104
Structure
Reaction
Pathway
map00901  Indole alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C07541  Lysergic acid
Other DBs
CAS: 82-58-6
PubChem: 9744
ChEBI: 182503 6604
KNApSAcK: C00011201
NIKKAJI: J4.614K
KCF data

ATOM        20
            1   C8y C    17.4594  -18.2037
            2   C8y C    17.4594  -16.8500
            3   C8y C    18.6264  -18.8805
            4   C8y C    16.2867  -18.8805
            5   C2y C    18.6322  -16.1906
            6   C8x C    16.2924  -16.1848
            7   C1x C    19.7933  -18.2154
            8   C8x C    18.6264  -20.2342
            9   N4x N    16.2867  -20.2342
            10  C8x C    15.1197  -18.2037
            11  C1y C    19.8050  -16.8558
            12  C2x C    18.6322  -14.8370
            13  C8x C    15.1197  -16.8500
            14  N1y N    20.9661  -16.1906
            15  C1y C    19.8050  -14.1661
            16  C1x C    20.9661  -14.8370
            17  C1a C    22.1389  -16.8558
            18  C6a C    19.8107  -12.8124
            19  O6a O    20.9778  -12.1414
            20  O6a O    18.6439  -12.1356
BOND        23
            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 2
            12    6  13 1
            13   11  14 1
            14   12  15 1
            15   14  16 1
            16   14  17 1
            17   15  18 1 #Up
            18   18  19 1
            19   18  20 2
            20    7  11 1
            21    8   9 1
            22   10  13 2
            23   15  16 1

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