KEGG   COMPOUND: C03677Help
Entry
C03677                      Compound                               

Name
4,21-Dehydrogeissoschizine
Formula
C21H23N2O3
Exact mass
351.1709
Mol weight
351.4189
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Indole alkaloid biosynthesis
Biosynthesis of alkaloids derived from shikimate pathway
Metabolic pathways
Biosynthesis of secondary metabolites
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C03677  4,21-Dehydrogeissoschizine
BRITE hierarchy
Other DBs
CAS: 
73385-56-5
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        26
            1   C1y C    30.0242  -15.2100
            2   C1x C    31.2204  -13.1464
            3   C1x C    30.0359  -12.4549
            4   C8y C    28.8325  -14.5090
            5   C8y C    28.8444  -13.0647
            6   N4x N    27.6441  -15.2001
            7   C8y C    26.4538  -14.4885
            8   C8y C    26.4724  -13.1183
            9   C8x C    25.2985  -12.4241
            10  C8x C    24.1062  -13.0862
            11  C8x C    24.0878  -14.4564
            12  C8x C    25.2615  -15.1648
            13  C1x C    30.0171  -16.6119
            14  C1y C    31.2285  -17.3154
            15  C2c C    31.2216  -18.7173
            16  C2y C    32.4472  -16.6241
            17  C2b C    33.6515  -17.3276
            18  C7a C    30.0031  -19.4157
            19  C2b C    32.4330  -19.4279
            20  O1a O    32.4261  -20.8299
            21  O7a O    29.9960  -20.8175
            22  O6a O    28.7915  -18.7051
            23  C2x C    32.4541  -15.2221
            24  C1a C    33.6446  -18.7294
            25  N2y N    31.2427  -14.5117 #+
            26  C1a C    28.7774  -21.5089
BOND        29
            1    11  12 2
            2    12   7 1
            3     1  13 1
            4     4   5 2
            5    13  14 1
            6     1  25 1
            7    14  15 1
            8    25   2 1
            9    14  16 1
            10    7   6 1
            11   16  17 2
            12    6   4 1
            13   15  18 1
            14    5   8 1
            15   15  19 2
            16    5   3 1
            17   19  20 1
            18    2   3 1
            19   18  21 1
            20   18  22 2
            21    1   4 1
            22   16  23 1
            23    7   8 2
            24    8   9 1
            25   17  24 1
            26    9  10 2
            27   23  25 2
            28   10  11 1
            29   21  26 1

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