KEGG   COMPOUND: C09238Help
Entry
C09238                      Compound                               

Name
Rutaecarpine;
Rutecarpine
Formula
C18H13N3O
Exact mass
287.1059
Mol weight
287.3153
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Quinazoline alkaloids
    C09238  Rutecarpine
BRITE hierarchy
Other DBs
CAS: 84-26-4
PubChem: 11429
ChEBI: 8922
ChEMBL: CHEMBL85139
KNApSAcK: C00001766
3DMET: B02792
NIKKAJI: J4.894A
LinkDB All DBs
KCF data Show

ATOM        22
            1   C8x C    21.5506  -19.6409
            2   C8x C    22.0811  -20.9401
            3   C8x C    23.4738  -21.1255
            4   C8x C    22.4127  -18.5271
            5   C8y C    23.8016  -18.7217
            6   C8y C    24.3279  -20.0263
            7   N4x N    25.7309  -19.9967
            8   C8y C    24.9481  -17.8132
            9   C8y C    26.0607  -18.5650
            10  C1x C    26.1727  -15.7601
            11  C1x C    24.9335  -16.4188
            12  N4y N    27.3619  -16.5093
            13  C8y C    27.3671  -17.9087
            14  N5x N    28.4799  -18.6605
            15  C8y C    28.6029  -15.8643
            16  C8y C    29.7791  -16.6186
            17  C8y C    29.7186  -18.0096
            18  C8x C    30.8952  -18.7604
            19  C8x C    32.2023  -18.1203
            20  C8x C    31.0162  -15.9784
            21  C8x C    32.1905  -16.7318
            22  O5x O    28.6601  -14.4617
BOND        26
            1     9  13 1
            2    12  10 1
            3    10  11 1
            4    11   8 1
            5     1   2 1
            6     2   3 2
            7     5   6 2
            8     6   7 1
            9    12  13 1
            10   13  14 2
            11   14  17 1
            12   16  15 1
            13   15  12 1
            14    7   9 1
            15    8   5 1
            16    3   6 1
            17    5   4 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   19  21 1
            22   20  16 1
            23    4   1 2
            24   20  21 2
            25    8   9 2
            26   15  22 2

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