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
map00901  Indole alkaloid biosynthesis
map01110  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: 5160
ChEBI: 17400
KNApSAcK: C00024300 C00024346
3DMET: B01530
NIKKAJI: J342.469C
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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