KEGG   COMPOUND: C10546Help
Entry
C10546                      Compound                               

Name
Austrobailignan 1
Formula
C21H18O7
Exact mass
382.1053
Mol weight
382.3634
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Lignans
   Lignans
    C10546  Austrobailignan 1
BRITE hierarchy
Other DBs
CAS: 55955-07-2
PubChem: 12729
ChEBI: 2932
ChEMBL: CHEMBL509850
KNApSAcK: C00002589
3DMET: B03945
NIKKAJI: J11.089B
KCF data Show

ATOM        28
            1   C1y C    25.7259  -22.0902
            2   C8y C    24.5110  -21.3835
            3   C1y C    26.9409  -21.4009
            4   C8y C    25.7201  -23.4920
            5   C8y C    24.5168  -19.9816
            6   C8x C    23.3077  -22.0844
            7   C1y C    26.9524  -19.9933
            8   C7x C    28.2843  -21.8449
            9   C8x C    26.9350  -24.1987
            10  C8x C    24.4994  -24.1987
            11  C1x C    25.7376  -19.2807
            12  C8x C    23.3077  -19.2748
            13  C8y C    22.0869  -21.3835
            14  C1x C    28.2960  -19.5610
            15  O7x O    29.1137  -20.7059
            16  O6a O    28.7048  -23.1824
            17  C8y C    26.9350  -25.6006
            18  C8y C    24.4994  -25.6006
            19  C8y C    22.0869  -19.9757
            20  O2x O    20.7435  -21.8156
            21  C8y C    25.7142  -26.3015
            22  O2x O    27.9688  -26.5410
            23  O2a O    23.2843  -26.3015
            24  O2x O    20.7494  -19.5319
            25  C1x C    19.9259  -20.6709
            26  O2x O    26.0005  -27.6742
            27  C1x C    27.3964  -27.8202
            28  C1a C    22.0636  -25.6065
BOND        33
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    7  14 1
            14    8  15 1
            15    8  16 2
            16    9  17 1
            17   10  18 2
            18   12  19 2
            19   13  20 1
            20   17  21 2
            21   17  22 1
            22   18  23 1
            23   19  24 1
            24   20  25 1
            25   21  26 1
            26   22  27 1
            27   23  28 1
            28    7  11 1
            29   13  19 1
            30   14  15 1
            31   18  21 1
            32   24  25 1
            33   26  27 1

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