KEGG   COMPOUND: C10857Help
Entry
C10857                      Compound                               

Name
Darlingine
Formula
C13H17NO2
Exact mass
219.1259
Mol weight
219.2796
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Tropane alkaloids
    C10857  Darlingine
BRITE hierarchy
Other DBs
CAS: 58471-10-6
PubChem: 13040
ChEBI: 4326
KNApSAcK: C00002290
3DMET: B05503
NIKKAJI: J1.167.551D
KCF data Show

ATOM        16
            1   C1x C    25.4620  -19.9202
            2   C1y C    24.4860  -18.3359
            3   C1y C    24.2762  -19.2217
            4   N1y N    23.6915  -17.5455
            5   C1x C    23.5354  -18.8522
            6   C1x C    23.0677  -19.8001
            7   C1a C    23.6886  -16.3048
            8   C8y C    25.6666  -18.3359
            9   C8y C    26.5142  -19.5620
            10  O2x O    28.0729  -19.5512
            11  C8y C    28.7694  -18.1661
            12  C8y C    27.9217  -16.8623
            13  C8y C    26.3701  -16.8802
            14  O5x O    25.5936  -15.5994
            15  C1a C    28.6908  -15.5217
            16  C1a C    30.3191  -18.2210
BOND        18
            1     4   7 1
            2     9   1 1
            3     8   2 1
            4     1   3 1
            5     2   4 1
            6     2   5 1
            7     3   6 1
            8     8   9 2
            9     9  10 1
            10   10  11 1
            11   11  12 2
            12   12  13 1
            13   13   8 1
            14    3   4 1
            15   13  14 2
            16    5   6 1
            17   12  15 1
            18   11  16 1

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