KEGG   COMPOUND: C09160Help
Entry
C09160                      Compound                               

Name
Ergine;
Lysergamide
Formula
C16H17N3O
Exact mass
267.1372
Mol weight
267.3257
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C09160  Ergine
BRITE hierarchy
Other DBs
CAS: 478-94-4
PubChem: 11352
ChEBI: 4819
ChEMBL: CHEMBL227213
KNApSAcK: C00001718
3DMET: B02729
NIKKAJI: J6.152B
LinkDB All DBs
KCF data Show

ATOM        20
            1   C8y C    26.6972  -20.4927
            2   C8x C    26.7012  -21.8527
            3   N4x N    24.3562  -21.8598
            4   C8y C    24.3520  -20.4998
            5   C8y C    25.4630  -19.8055
            6   C1y C    27.8684  -18.4438
            7   N1y N    29.0444  -17.7605
            8   C1a C    30.2214  -18.4299
            9   C2y C    26.6923  -17.7725
            10  C2x C    26.6887  -16.4140
            11  C1y C    27.8586  -15.7304
            12  C5a C    27.8586  -14.3773
            13  C1x C    29.0355  -16.4069
            14  C8x C    23.1618  -19.8143
            15  C8x C    23.1618  -18.4541
            16  C8x C    24.3449  -17.7776
            17  C8y C    25.5149  -18.4541
            18  C1x C    27.8744  -19.8040
            19  O5a O    29.0321  -13.6832
            20  N1a N    26.6784  -13.6901
BOND        23
            1     1   2 2
            2    11  12 1 #Up
            3    11  13 1
            4     6   7 1
            5     3   4 1
            6     7   8 1
            7    14  15 2
            8    15  16 1
            9    16  17 2
            10    4  14 1
            11    4   5 2
            12    5   1 1
            13    5  17 1
            14   17   9 1
            15    9   6 1
            16    6  18 1
            17   18   1 1
            18   13   7 1
            19    9  10 2
            20    2   3 1
            21   12  19 2
            22   10  11 1
            23   12  20 1

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