KEGG   COMPOUND: C10891Help
Entry
C10891                      Compound                               

Name
Trachelogenin;
(-)-Trachelogenin
Formula
C21H24O7
Exact mass
388.1522
Mol weight
388.4111
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Lignans
   Lignans
    C10891  Trachelogenin
BRITE hierarchy
Other DBs
CAS: 34209-69-3
PubChem: 13074
ChEBI: 9647
ChEMBL: CHEMBL491178
KNApSAcK: C00000600
3DMET: B04195
NIKKAJI: J512.147G
KCF data Show

ATOM        28
            1   C1z C    33.5136  -21.7415
            2   C1y C    32.1065  -21.7415
            3   C1b C    34.7281  -22.4486
            4   C7x C    33.9453  -20.4172
            5   C1x C    31.6679  -20.4172
            6   C8y C    35.9356  -21.7415
            7   O7x O    32.8066  -19.5878
            8   O6a O    35.1307  -19.7104
            9   C8x C    37.1444  -22.4486
            10  C8x C    35.9299  -20.3404
            11  C8x C    38.3589  -21.7415
            12  C8y C    37.1444  -19.6404
            13  C8y C    38.3589  -20.3404
            14  O1a O    39.5733  -19.6404
            15  C1b C    30.8913  -22.4504
            16  C8y C    29.6775  -21.7415
            17  C8x C    28.4631  -22.4486
            18  C8x C    29.6775  -20.3404
            19  C8x C    27.2485  -21.7415
            20  C8y C    28.4631  -19.6461
            21  C8y C    27.2485  -20.3404
            22  O2a O    26.0340  -19.6404
            23  O1a O    33.0400  -23.5069
            24  C1a C    26.0328  -18.2448
            25  O2a O    28.4631  -18.2505
            26  C1a C    27.2545  -17.5527
            27  O2a O    37.1444  -18.2448
            28  C1a C    38.3531  -17.5472
BOND        30
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8    15  16 1
            9    16  17 2
            10   16  18 1
            11   17  19 1
            12   18  20 2
            13   19  21 2
            14   21  22 1
            15   20  21 1
            16    6   9 2
            17    6  10 1
            18    9  11 1
            19    1  23 1 #Up
            20   10  12 2
            21   11  13 2
            22   22  24 1
            23   13  14 1
            24   20  25 1
            25    5   7 1
            26   25  26 1
            27   12  13 1
            28   12  27 1
            29    2  15 1 #Up
            30   27  28 1

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