KEGG   COMPOUND: C10848Help
Entry
C10848                      Compound                               

Name
Tropacocaine
Formula
C15H19NO2
Exact mass
245.1416
Mol weight
245.3169
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Tropane alkaloids
    C10848  Tropacocaine
BRITE hierarchy
Other DBs
CAS: 537-26-8
PubChem: 13031
ChEBI: 9755
ChEMBL: CHEMBL1947051 CHEMBL1947052
KNApSAcK: C00002305
3DMET: B05494
NIKKAJI: J6.360F
LinkDB All DBs
KCF data Show

ATOM        18
            1   C1y C    27.9013  -17.9049
            2   C1x C    26.9091  -16.3839
            3   C1x C    26.9091  -17.4181
            4   C1y C    25.4462  -16.3839
            5   C1y C    25.3633  -17.4181
            6   N1y N    24.6021  -15.4523
            7   C1x C    24.4106  -16.9851
            8   C1x C    23.8724  -18.0882
            9   C1a C    24.5950  -14.0112
            10  O7a O    29.3462  -17.4298
            11  C7a C    30.0073  -18.7887
            12  C8y C    31.2873  -18.7830
            13  O6a O    29.3941  -19.8118
            14  C8x C    31.9239  -19.8935
            15  C8x C    31.9180  -17.6721
            16  C8x C    33.2038  -19.8935
            17  C8x C    33.2097  -17.6721
            18  C8x C    33.8532  -18.7830
BOND        20
            1     7   8 1
            2     6   9 1
            3     1  10 1 #Up
            4     1   2 1
            5     1   3 1
            6     2   4 1
            7     3   5 1
            8     4   6 1
            9     4   7 1
            10    5   8 1
            11    5   6 1
            12   10  11 1
            13   11  12 1
            14   11  13 2
            15   12  14 1
            16   12  15 2
            17   14  16 2
            18   15  17 1
            19   16  18 1
            20   17  18 2

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