KEGG   COMPOUND: C10545Help
Entry
C10545                      Compound                               

Name
Arctigenin;
(-)-Arctigenin
Formula
C21H24O6
Exact mass
372.1573
Mol weight
372.4117
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Lignans
   Lignans
    C10545  Arctigenin
BRITE hierarchy
Other DBs
CAS: 7770-78-7
PubChem: 12728
ChEBI: 79
ChEMBL: CHEMBL435734
KNApSAcK: C00000609
3DMET: B03944
NIKKAJI: J16.086E
LinkDB All DBs
KCF data Show

ATOM        27
            1   C1y C    25.2032  -24.9091
            2   C1y C    23.7967  -24.9091
            3   C1b C    26.4174  -25.6160
            4   C7x C    25.6347  -23.5853
            5   C1b C    22.5824  -25.6160
            6   C1x C    23.3582  -23.5853
            7   C8y C    27.6245  -24.9091
            8   O7x O    24.4964  -22.7560
            9   O6a O    26.8199  -22.8786
            10  C8y C    21.3684  -24.9091
            11  C8x C    28.8330  -25.6160
            12  C8x C    27.6188  -23.5083
            13  C8x C    20.1543  -25.6160
            14  C8x C    21.3684  -23.5083
            15  C8x C    30.0471  -24.9091
            16  C8y C    28.8330  -22.8086
            17  C8x C    18.9401  -24.9091
            18  C8y C    20.1543  -22.8143
            19  C8y C    30.0471  -23.5083
            20  C8y C    18.9401  -23.5083
            21  O1a O    31.2611  -22.8086
            22  O2a O    17.7259  -22.8086
            23  O2a O    20.1543  -21.4191
            24  C1a C    18.9460  -20.7215
            25  C1a C    17.7247  -21.4134
            26  O2a O    28.8330  -21.4134
            27  C1a C    30.0413  -20.7160
BOND        29
            1     2   6 1
            2     3   7 1
            3     4   8 1
            4     4   9 2
            5     5  10 1
            6     7  11 2
            7     7  12 1
            8    10  13 2
            9    10  14 1
            10   11  15 1
            11   12  16 2
            12   13  17 1
            13   14  18 2
            14   15  19 2
            15   17  20 2
            16   19  21 1
            17   20  22 1
            18    6   8 1
            19   16  19 1
            20   18  20 1
            21   18  23 1
            22    1   2 1
            23   23  24 1
            24    1   3 1 #Down
            25   22  25 1
            26    1   4 1
            27   16  26 1
            28    2   5 1 #Up
            29   26  27 1

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