KEGG   COMPOUND: C10842
Entry
C10842                      Compound                               

Name
Anisodamine;
6-Hydroxyhyoscyamine
Formula
C17H23NO4
Exact mass
305.1627
Mol weight
305.3688
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Tropane alkaloids
    C10842  Anisodamine
Other DBs
CAS: 55869-99-3
PubChem: 13025
ChEBI: 2735
KNApSAcK: C00002274
3DMET: B05488
NIKKAJI: J33.369G
KCF data

ATOM        22
            1   O7a O    28.6989  -18.9374
            2   C7a C    30.0270  -18.9675
            3   C1c C    30.7039  -17.8432
            4   O6a O    30.6581  -20.1286
            5   C8y C    32.0264  -17.8674
            6   C1b C    30.0671  -16.6819
            7   C8x C    32.6649  -19.0214
            8   C8x C    32.7171  -16.7187
            9   O1a O    30.7571  -15.5522
            10  C8x C    34.0047  -19.0516
            11  C8x C    34.0568  -16.7561
            12  C8x C    34.7062  -17.9351
            13  C1y C    27.9922  -17.7087
            14  C1x C    26.9867  -16.1887
            15  C1x C    26.9867  -17.2291
            16  C1y C    25.5249  -16.1887
            17  C1y C    25.4491  -17.2291
            18  N1y N    24.6884  -15.2647
            19  C1x C    24.4972  -16.7963
            20  C1y C    23.9522  -17.8987
            21  O1a O    22.9255  -16.8708
            22  C1a C    24.6813  -13.8247
BOND        24
            1     8  11 2
            2    10  12 2
            3    11  12 1
            4     1   2 1
            5     2   3 1
            6     2   4 2
            7     3   5 1
            8     3   6 1 #Up
            9     5   7 2
            10    5   8 1
            11   13  14 1
            12   13  15 1
            13   14  16 1
            14   15  17 1
            15   16  18 1
            16   16  19 1
            17   17  20 1
            18   17  18 1
            19   19  20 1
            20    6   9 1
            21   20  21 1 #Up
            22   13   1 1 #Down
            23    7  10 1
            24   18  22 1

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