KEGG   COMPOUND: C02074Help
Entry
C02074                      Compound                               

Name
Raucaffricine;
Vomilenine beta-D-glucoside
Formula
C27H32N2O8
Exact mass
512.2159
Mol weight
512.5516
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Indole alkaloid biosynthesis
Biosynthesis of secondary metabolites
Enzyme
2.4.1.219       3.2.1.125
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C02074  Raucaffricine
BRITE hierarchy
Other DBs
CAS: 
31282-07-2
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        37
            1   C8x C    24.0100  -24.4300
            2   C8x C    24.0100  -25.8300
            3   C8x C    25.2224  -26.5300
            4   C8y C    26.4349  -25.8300
            5   C8y C    26.4349  -24.4300
            6   C8x C    25.2224  -23.7300
            7   N2x N    27.6473  -26.5300
            8   C2y C    28.8597  -25.8300
            9   C1z C    28.8597  -24.4300
            10  C1y C    30.0722  -26.5300
            11  N1y N    31.2846  -25.8300
            12  C1y C    31.2846  -24.4300
            13  C1x C    30.0722  -23.7300
            14  C1x C    30.0722  -27.9300
            15  C1y C    31.2846  -28.6300
            16  C2y C    32.4970  -27.9300
            17  C1y C    32.4970  -26.5300
            18  C2b C    33.7095  -28.6300
            19  C1a C    33.7095  -30.0300
            20  C1y C    32.4970  -23.7300
            21  C1y C    29.9671  -22.7401
            22  O7a O    29.9671  -21.3401
            23  C7a C    28.7547  -20.6401
            24  O6a O    27.5422  -21.3401
            25  C1a C    28.7547  -19.2401
            26  O2a O    33.7094  -25.8300
            27  C1y C    34.9218  -26.5300
            28  O2x O    34.9218  -27.9300
            29  C1y C    36.1343  -28.6300
            30  C1y C    37.3467  -27.9300
            31  C1y C    37.3467  -26.5300
            32  C1y C    36.1343  -25.8300
            33  C1b C    36.1343  -30.0300
            34  O1a O    38.5591  -25.8300
            35  O1a O    36.1343  -24.4300
            36  O1a O    38.5591  -28.6300
            37  O1a O    37.3467  -30.7300
BOND        43
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9   5 1 #Down
            11    8  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15    9  13 1
            16   10  14 1
            17   14  15 1
            18   15  16 1
            19   16  17 1
            20   11  17 1
            21   16  18 2
            22   18  19 1
            23   12  20 1 #Up
            24   15  20 1 #Up
            25   20  21 1
            26    9  21 1
            27   21  22 1 #Down
            28   22  23 1
            29   23  24 2
            30   23  25 1
            31   17  26 1 #Down
            32   27  26 1 #Up
            33   27  28 1
            34   28  29 1
            35   29  30 1
            36   30  31 1
            37   31  32 1
            38   27  32 1
            39   29  33 1 #Up
            40   31  34 1 #Up
            41   32  35 1 #Down
            42   30  36 1 #Down
            43   33  37 1

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