KEGG   COMPOUND: C10894Help
Entry
C10894                      Compound                               

Name
Yangambin;
Lirioresinol-B dimethyl ether
Formula
C24H30O8
Exact mass
446.1941
Mol weight
446.4902
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Lignans
   Lignans
    C10894  Yangambin
BRITE hierarchy
Other DBs
CAS: 13060-14-5
PubChem: 13077
ChEBI: 10088
ChEMBL: CHEMBL454592
KNApSAcK: C00000642
3DMET: B04198
NIKKAJI: J112.704G
KCF data Show

ATOM        32
            1   C1y C    25.7519  -21.8112
            2   O2x O    24.6189  -20.9872
            3   C1x C    23.4860  -21.8112
            4   C1y C    25.3172  -23.1386
            5   C1y C    23.9251  -23.2020
            6   C1y C    23.4886  -24.4542
            7   O2x O    24.6111  -25.2776
            8   C1x C    25.7413  -24.4647
            9   C8y C    22.1361  -25.2659
            10  C8y C    20.9318  -27.3554
            11  C8x C    22.1371  -26.6571
            12  C8x C    20.9318  -24.5622
            13  C8y C    19.7194  -26.6571
            14  C8y C    19.7260  -25.2650
            15  C8y C    26.9327  -21.0994
            16  C8x C    26.9283  -19.7023
            17  C8x C    28.1407  -21.7972
            18  C8y C    29.3461  -21.0989
            19  C8y C    29.3461  -19.7023
            20  C8y C    28.1407  -19.0039
            21  O2a O    30.5560  -21.7962
            22  O2a O    30.5560  -19.0048
            23  C1a C    31.7650  -21.0970
            24  O2a O    28.1426  -17.6073
            25  C1a C    29.3530  -16.9105
            26  O2a O    18.5167  -24.5664
            27  O2a O    18.5086  -27.3532
            28  O2a O    20.9337  -28.7520
            29  C1a C    17.3070  -25.2644
            30  C1a C    19.7250  -29.4519
            31  C1a C    31.7650  -19.7038
            32  C1a C    17.3004  -26.6527
BOND        35
            1     7   8 1
            2     8   4 1
            3     1  15 1 #Down
            4     4   1 1
            5     1   2 1
            6     6   9 1 #Down
            7     2   3 1
            8     3   5 1
            9    15  17 1
            10   17  18 2
            11   18  19 1
            12   19  20 2
            13   20  16 1
            14   18  21 1
            15   19  22 1
            16   21  23 1
            17   16  15 2
            18    4   5 1
            19    5   6 1
            20   20  24 1
            21    6   7 1
            22   24  25 1
            23   13  10 2
            24   14  26 1
            25   10  11 1
            26   13  27 1
            27   11   9 2
            28   10  28 1
            29    9  12 1
            30   26  29 1
            31   12  14 2
            32   28  30 1
            33   22  31 1
            34   13  14 1
            35   27  32 1

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