KEGG   COMPOUND: C10863
Entry
C10863                      Compound                               

Name
Phyllalbine
Formula
C16H21NO4
Exact mass
291.1471
Mol weight
291.3422
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Tropane alkaloids
    C10863  Phyllalbine
Other DBs
CAS: 4540-25-4
PubChem: 13046
ChEBI: 8176
ChEMBL: CHEMBL1375175 CHEMBL1555308 CHEMBL2165592
KNApSAcK: C00002298
3DMET: B05509
NIKKAJI: J2.781.924I
LinkDB
KCF data

ATOM        21
            1   C8y C    28.1019  -18.6085
            2   C8x C    29.4273  -18.6085
            3   C8y C    30.0862  -17.4599
            4   C8y C    29.4273  -16.3111
            5   C8x C    28.1019  -16.3111
            6   C8x C    27.4358  -17.4599
            7   O7a O    26.0771  -19.7089
            8   C7a C    27.4119  -19.7388
            9   O6a O    28.0570  -20.9069
            10  C1y C    25.3707  -18.4733
            11  C1x C    24.3652  -16.9466
            12  C1x C    24.3652  -17.9939
            13  C1y C    22.8969  -16.9466
            14  C1y C    22.8140  -17.9939
            15  N1y N    22.0466  -16.0228
            16  C1x C    21.8552  -17.5612
            17  C1x C    21.3175  -18.6704
            18  C1a C    22.0394  -14.5763
            19  O1a O    30.0829  -15.1614
            20  O2a O    31.4010  -17.4594
            21  C1a C    32.1337  -16.1705
BOND        23
            1     5   6 1
            2     6   1 2
            3     1   2 1
            4     2   3 2
            5     7   8 1
            6    10  11 1
            7    10  12 1
            8    11  13 1
            9    12  14 1
            10   13  15 1
            11   13  16 1
            12   14  17 1
            13   14  15 1
            14   16  17 1
            15   10   7 1 #Down
            16    8   1 1
            17   15  18 1
            18    8   9 2
            19    4  19 1
            20    3   4 1
            21    3  20 1
            22    4   5 2
            23   20  21 1

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