KEGG   COMPOUND: C09214Help
Entry
C09214                      Compound                               

Name
Ibogaine
Formula
C20H26N2O
Exact mass
310.2045
Mol weight
310.4332
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C09214  Ibogaine
BRITE hierarchy
Other DBs
CAS: 83-74-9
PubChem: 11405
ChEBI: 5852
ChEMBL: CHEMBL222287
KNApSAcK: C00001741
NIKKAJI: J9.327K
KCF data Show

ATOM        23
            1   C1y C    30.2459  -18.2029
            2   C1y C    30.9793  -17.2208
            3   C1x C    31.2287  -18.9875
            4   C1y C    32.1192  -17.9501
            5   C1y C    32.9290  -17.0932
            6   C1x C    33.9813  -17.8964
            7   C1b C    33.3293  -15.7418
            8   C8y C    27.1656  -17.4863
            9   N4x N    28.3180  -19.1024
            10  C8y C    27.1670  -18.7064
            11  C8x C    26.1035  -16.8770
            12  C8x C    26.1035  -19.3298
            13  C8y C    25.0573  -17.4863
            14  C8x C    25.0573  -18.7064
            15  C8y C    29.0301  -18.1216
            16  C8y C    28.3392  -17.1296
            17  C1x C    28.6781  -15.9524
            18  C1x C    29.8046  -15.4914
            19  N1y N    30.8663  -16.0785
            20  C1x C    31.7430  -14.4338
            21  C1a C    34.7037  -15.4193
            22  O2a O    24.0048  -16.8837
            23  C1a C    22.9527  -17.4838
BOND        27
            1     1   2 1
            2     1   3 1
            3     2   5 1
            4    16   8 1
            5    15   9 1
            6     8  10 2
            7     8  11 1
            8    10  12 1
            9    11  13 2
            10   12  14 2
            11    9  10 1
            12   13  14 1
            13   15  16 2
            14   16  17 1
            15   15   1 1
            16   17  18 1
            17   18  19 1
            18    2  19 1
            19   19  20 1 #Up
            20    4  20 1 #Up
            21    4   6 1
            22    7  21 1
            23    5   7 1 #Up
            24    3   4 1
            25   13  22 1
            26    5   6 1
            27   22  23 1

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