KEGG   COMPOUND: C10409Help
Entry
C10409                      Compound                               

Name
Symphytine;
7-Tiglyl-9-(-)-viridiflorylretronecine
Formula
C20H31NO6
Exact mass
381.2151
Mol weight
381.4632
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Pyrrolizidine alkaloids
    C10409  Symphytine
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C10409  Symphytine
BRITE hierarchy
Other DBs
CAS: 
22571-95-5
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        27
            1   C1y C    26.5237  -18.7233
            2   N1y N    26.5005  -20.1125
            3   C2y C    27.8313  -18.2566
            4   C1y C    25.1813  -18.3431
            5   C1x C    25.2749  -20.5966
            6   C1x C    27.9073  -20.4913
            7   C2x C    28.6896  -19.3417
            8   C1b C    27.8254  -16.8615
            9   C1x C    24.4106  -19.5113
            10  O7a O    25.1696  -16.9480
            11  O7a O    29.0346  -16.1667
            12  C7a C    30.2368  -16.8557
            13  C1d C    31.4389  -16.1550
            14  O6a O    30.2308  -18.2507
            15  C1c C    32.6422  -16.8498
            16  C1a C    33.8445  -16.1493
            17  O1a O    32.6365  -18.2390
            18  C7a C    23.9663  -16.2656
            19  O6a O    22.7747  -16.9682
            20  C2c C    23.9548  -14.8808
            21  C1a C    25.1464  -14.1783
            22  C2b C    22.7515  -14.1985
            23  O1a O    32.8064  -15.1908
            24  C1c C    31.4270  -14.7698
            25  C1a C    32.6365  -14.0653
            26  C1a C    30.2193  -14.0711
            27  C1a C    22.7406  -12.7994
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    3   7 2
            21   13  23 1 #Up
            22    3   8 1
            23   13  24 1 #Down
            24    4   9 1
            25    4  10 1 #Up
            26   24  25 1
            27   24  26 1
            28   22  27 1

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