KEGG   COMPOUND: C11683Help
Entry
C11683                      Compound                               

Name
19-epi-Ajmalicine
Formula
C21H24N2O3
Exact mass
352.1787
Mol weight
352.4269
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Indole alkaloid biosynthesis
Biosynthesis of secondary metabolites
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C11683  19-epi-Ajmalicine
BRITE hierarchy
Other DBs
CAS: 
25532-45-0
PubChem: 
ChEBI: 
ChEMBL: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        26
            1   C8x C    20.7662  -18.1089
            2   C8x C    21.3591  -19.3670
            3   C8x C    22.7486  -19.4850
            4   C8x C    21.5595  -16.9621
            5   C8y C    22.9553  -17.0771
            6   C8y C    23.5483  -18.3353
            7   C1x C    25.1162  -13.9895
            8   C1x C    23.9231  -14.7097
            9   N1y N    26.3416  -14.6502
            10  C1y C    26.2976  -16.0469
            11  C1x C    27.5891  -16.7198
            12  C1x C    27.5374  -13.9263
            13  C1y C    28.7592  -14.5992
            14  C1y C    28.7822  -15.9899
            15  C2y C    29.9970  -16.6620
            16  C2x C    31.1220  -15.9499
            17  O2x O    31.1658  -14.5529
            18  C1y C    29.9510  -13.8808
            19  C1a C    30.0412  -12.4158
            20  C7a C    30.0112  -18.1254
            21  C8y C    25.1803  -16.7801
            22  C8y C    23.9587  -16.1227
            23  N4x N    24.9336  -18.1452
            24  O7a O    31.1615  -18.9208
            25  C1a C    31.1308  -20.3148
            26  O6a O    28.7363  -18.7259
BOND        30
            1     1   2 1
            2    21  10 1
            3     9   7 1
            4     7   8 1
            5    13  14 1
            6    14  15 1
            7    15  16 2
            8    16  17 1
            9    17  18 1
            10   18  13 1
            11    8  22 1
            12   18  19 1 #Up
            13    2   3 2
            14   15  20 1
            15    3   6 1
            16    5   4 1
            17    4   1 2
            18   21  22 2
            19   22   5 1
            20    6  23 1
            21   23  21 1
            22    9  10 1
            23   20  24 1
            24   10  11 1
            25   24  25 1
            26   11  14 1
            27   20  26 2
            28   13  12 1
            29   12   9 1
            30    5   6 2

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