KEGG   COMPOUND: C10866
Entry
C10866                      Compound                               

Name
Scopoline
Formula
C8H13NO2
Exact mass
155.0946
Mol weight
155.1943
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Tropane alkaloids
    C10866  Scopoline
Other DBs
CAS: 487-27-4
PubChem: 13049
ChEBI: 9059
KNApSAcK: C00002302
3DMET: B05512
NIKKAJI: J252.999H
KCF data

ATOM        11
            1   C1y C    28.6873  -18.7310
            2   C1x C    27.8231  -17.4090
            3   C1x C    27.8231  -18.3152
            4   C1y C    26.5522  -17.4090
            5   C1y C    26.4833  -18.3152
            6   N1y N    25.8217  -16.6053
            7   C1y C    25.6517  -17.9390
            8   C1y C    25.1845  -18.8929
            9   C1a C    25.8146  -15.3214
            10  O1a O    24.7433  -17.4073
            11  O2x O    27.0059  -20.0856
BOND        13
            1     2   4 1
            2     3   5 1
            3     4   6 1
            4     4   7 1
            5     5   8 1
            6     5   6 1
            7     7   8 1
            8     6   9 1
            9     1   2 1
            10    7  10 1 #Up
            11    1   3 1
            12    8  11 1
            13    1  11 1

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