KEGG   COMPOUND: C10361Help
Entry
C10361                      Compound                               

Name
Phalaenopsine T
Formula
C20H27NO5
Exact mass
361.1889
Mol weight
361.4321
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Pyrrolizidine alkaloids
    C10361  Phalaenopsine T
BRITE hierarchy
Other DBs
CAS: 23412-97-7
PubChem: 12547
ChEBI: 8039
KNApSAcK: C00002106
3DMET: B03774
NIKKAJI: J16.259K
KCF data Show

ATOM        26
            1   C1y C    23.5267  -20.1837
            2   C1y C    24.7688  -19.7055
            3   N1y N    23.4976  -21.5833
            4   C1x C    22.0981  -19.7988
            5   C1x C    25.6319  -20.8077
            6   C1b C    24.7630  -18.3002
            7   C1x C    24.8446  -21.9682
            8   C1x C    22.1914  -22.0730
            9   C1x C    21.3226  -20.9709
            10  O7a O    25.9759  -17.6064
            11  C7a C    27.1887  -18.2945
            12  C1d C    28.4017  -17.6005
            13  O6a O    27.1830  -19.6998
            14  C1b C    28.3958  -16.1952
            15  C1b C    29.6146  -18.2885
            16  O1a O    29.2765  -16.5410
            17  C8y C    27.1772  -15.4895
            18  C7a C    30.8217  -17.5888
            19  C8x C    27.1656  -14.0901
            20  C8x C    25.9642  -16.2009
            21  O7a O    32.0347  -18.2828
            22  O6a O    30.8159  -16.1892
            23  C8x C    25.9468  -13.3961
            24  C8x C    24.7455  -15.5012
            25  C1a C    32.0287  -19.6823
            26  C8x C    24.8097  -14.1018
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     6  10 1
            10   10  11 1
            11   11  12 1
            12   11  13 2
            13   12  14 1 #Up
            14   12  15 1
            15   12  16 1 #Down
            16   14  17 1
            17   15  18 1
            18   17  19 2
            19   17  20 1
            20   18  21 1
            21   18  22 2
            22   19  23 1
            23   20  24 2
            24   21  25 1
            25   23  26 2
            26    5   7 1
            27    8   9 1
            28   24  26 1

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