KEGG   COMPOUND: C09187Help
Entry
C09187                      Compound                               

Name
Evodiamine
Formula
C19H17N3O
Exact mass
303.1372
Mol weight
303.3578
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Quinazoline alkaloids
    C09187  Evodiamine
Major components of natural products [BR:br08323]
 Crude drugs
  Evodia fruit
   C09187  Evodiamine
BRITE hierarchy
Other DBs
CAS: 518-17-2
PubChem: 11379
ChEBI: 4948
ChEMBL: CHEMBL463165
KNApSAcK: C00001727
3DMET: B02753
NIKKAJI: J9.430G
KCF data Show

ATOM        23
            1   C8x C    21.5661  -19.6494
            2   C8x C    22.0266  -20.9332
            3   C8x C    22.4491  -18.5970
            4   C8y C    23.7996  -18.8486
            5   C8y C    24.2959  -20.1126
            6   C8x C    23.4143  -21.1417
            7   C1x C    26.0027  -15.8695
            8   C1x C    24.8091  -16.5387
            9   C5x C    28.4318  -15.7961
            10  N1y N    27.1860  -16.4925
            11  C1y C    27.1708  -17.9260
            12  N1y N    28.3992  -18.6588
            13  C8y C    29.6668  -16.5265
            14  C8y C    29.6490  -17.9494
            15  C8x C    30.8675  -18.6688
            16  C8x C    32.1082  -17.9785
            17  C8x C    32.1258  -16.5556
            18  C8x C    30.9052  -15.8296
            19  C1a C    28.4347  -20.1024
            20  O5x O    28.4334  -14.3601
            21  C8y C    25.9918  -18.5855
            22  C8y C    24.7951  -17.9217
            23  N4x N    25.6550  -20.0626
BOND        27
            1     9  10 1
            2    10  11 1
            3    11  12 1
            4    12  14 1
            5     5   6 1
            6     2   6 2
            7     4   3 1
            8    10   7 1
            9     7   8 1
            10    8  22 1
            11   13  14 2
            12   14  15 1
            13   15  16 2
            14   16  17 1
            15   17  18 2
            16   18  13 1
            17   11  21 1
            18   12  19 1
            19    3   1 2
            20    9  20 2
            21    4   5 2
            22    1   2 1
            23   21  22 2
            24   22   4 1
            25    5  23 1
            26   23  21 1
            27   13   9 1

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