KEGG   COMPOUND: C10408
Entry
C10408                      Compound                               

Name
Symlandine;
7-Angelyl-9-(-)-viridiflorylretronecine
Formula
C20H31NO6
Exact mass
381.2151
Mol weight
381.4632
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Pyrrolizidine alkaloids
    C10408  Symlandine
Other DBs
CAS: 74410-74-5
PubChem: 12594
ChEBI: 9374
KNApSAcK: C00002122
3DMET: B03821
NIKKAJI: J21.389F
KCF data

ATOM        27
            1   C1y C    25.5495  -19.1467
            2   N1y N    25.5263  -20.5362
            3   C2y C    26.7874  -18.6799
            4   C1y C    24.1368  -18.7664
            5   C1x C    24.2304  -21.0204
            6   C1x C    26.8634  -20.9151
            7   C2x C    27.6458  -19.7653
            8   C1b C    26.7814  -17.2844
            9   C1x C    23.3658  -19.9349
            10  O7a O    24.1251  -17.3709
            11  O7a O    27.9910  -16.5895
            12  C7a C    29.1934  -17.2786
            13  C1d C    30.3958  -16.5778
            14  O6a O    29.1875  -18.6739
            15  C1c C    31.5995  -17.2727
            16  C1a C    32.8021  -16.5720
            17  O1a O    31.5937  -18.6622
            18  C7a C    22.9214  -16.6884
            19  O6a O    21.7295  -17.3911
            20  C2c C    22.9099  -15.3033
            21  C1a C    24.1018  -14.6005
            22  C2b C    21.7063  -14.6207
            23  C1a C    20.5074  -15.3233
            24  O1a O    31.7637  -15.6133
            25  C1c C    30.3840  -15.1922
            26  C1a C    31.5937  -14.4876
            27  C1a C    29.1760  -14.4933
BOND        28
            1     8  11 1
            2    11  12 1
            3    12  13 1
            4    12  14 2
            5    13  15 1
            6    15  16 1
            7    15  17 1 #Down
            8     5   9 1
            9     6   7 1
            10   10  18 1
            11    1   2 1
            12   18  19 2
            13    1   3 1
            14   18  20 1
            15    1   4 1
            16   20  21 1
            17    2   5 1
            18   20  22 2
            19    2   6 1
            20   22  23 1
            21    3   7 2
            22   13  24 1 #Up
            23    3   8 1
            24   13  25 1 #Down
            25    4   9 1
            26    4  10 1 #Up
            27   25  26 1
            28   25  27 1

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