KEGG   COMPOUND: C09024Help
Entry
C09024                      Compound                               

Name
Ajmalicine;
Raubasine
Formula
C21H24N2O3
Exact mass
352.1787
Mol weight
352.4269
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Pathway
Indole alkaloid biosynthesis
Biosynthesis of alkaloids derived from shikimate pathway
Metabolic pathways
Biosynthesis of secondary metabolites
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C09024  Ajmalicine
Phytochemicals used as drugs [BR:br08306]
 Alkaloids
  Alkaloids derived from tryptophan and anthranillic acid
   Indole alkaloids
    D08470  Ajmalicine
BRITE hierarchy
Other DBs
CAS: 
483-04-5
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        26
            1   C8x C    20.8184  -17.9218
            2   C8x C    21.3748  -19.1964
            3   C8x C    22.7604  -19.3544
            4   C8x C    21.6443  -16.7983
            5   C8y C    23.0362  -16.9534
            6   C8y C    23.5927  -18.2281
            7   C1x C    25.2850  -13.9292
            8   C1x C    24.0717  -14.6148
            9   N1y N    26.4909  -14.6249
            10  C1y C    26.4767  -16.0218
            11  C1x C    27.6783  -16.7295
            12  C1x C    27.7070  -13.9356
            13  C1y C    28.9089  -14.6435
            14  C1y C    28.8919  -16.0342
            15  C2y C    30.0869  -16.7410
            16  C2x C    31.3019  -16.0636
            17  O2x O    31.3159  -14.6664
            18  C1y C    30.1209  -13.9596
            19  C1a C    30.1132  -12.4938
            20  C7a C    30.1290  -18.2042
            21  C8y C    25.2688  -16.7205
            22  C8y C    24.0666  -16.0282
            23  N4x N    24.9830  -18.0780
            24  O7a O    31.1860  -19.0324
            25  O6a O    28.7673  -18.7677
            26  C1a C    32.5111  -18.3587
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 #Down
            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   11  14 1
            26   20  25 2
            27   13  12 1
            28   12   9 1
            29    5   6 2
            30   24  26 1

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