KEGG   COMPOUND: C01761Help
Entry
C01761                      Compound                               

Name
Vomilenine
Formula
C21H22N2O3
Exact mass
350.163
Mol weight
350.411
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Indole alkaloid biosynthesis
Biosynthesis of secondary metabolites
Enzyme
1.5.1.32        1.14.13.75      2.4.1.219       3.2.1.125
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C01761  Vomilenine
BRITE hierarchy
Other DBs
CAS: 
6880-50-8
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        26
            1   C8x C    26.3900  -24.7800
            2   C8x C    26.3900  -26.1800
            3   C8x C    27.6024  -26.8800
            4   C8y C    28.8149  -26.1800
            5   C8y C    28.8149  -24.7800
            6   C8x C    27.6024  -24.0800
            7   N2x N    30.0273  -26.8800
            8   C2y C    31.2397  -26.1800
            9   C1z C    31.2397  -24.7800
            10  C1y C    32.4522  -26.8800
            11  N1y N    33.6646  -26.1800
            12  C1y C    33.6646  -24.7800
            13  C1x C    32.4522  -24.0800
            14  C1x C    32.4522  -28.2800
            15  C1y C    33.6646  -28.9800
            16  C2y C    34.8770  -28.2800
            17  C1y C    34.8770  -26.8800
            18  C2b C    36.0895  -28.9800
            19  C1a C    36.0895  -30.3800
            20  C1y C    34.8770  -24.0800
            21  C1y C    32.3471  -23.0901
            22  O7a O    32.3471  -21.6901
            23  C7a C    31.1347  -20.9901
            24  O6a O    29.9222  -21.6901
            25  C1a C    31.1347  -19.5901
            26  O1a O    36.0894  -26.1800
BOND        31
            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

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