KEGG   COMPOUND: C17070
Entry
C17070                      Compound                               

Name
Sumaresinol;
Sumaresinolic acid
Formula
C30H48O4
Exact mass
472.3553
Mol weight
472.6997
Structure
Other DBs
PubChem: 96023548
ChEBI: 80906
ChEMBL: CHEMBL1698617 CHEMBL486807
NIKKAJI: J16.222A
KCF data

ATOM        34
            1   C1x C    27.1758  -24.1633
            2   C1y C    27.1758  -25.5638
            3   C1z C    28.3885  -26.2641
            4   C1y C    29.6014  -25.5638
            5   C1z C    29.6014  -24.1633
            6   C1x C    28.3885  -23.4630
            7   C1y C    30.8143  -26.2641
            8   C1x C    32.0271  -25.5638
            9   C1z C    32.0271  -24.1633
            10  C1y C    30.8143  -23.4630
            11  C1z C    33.2401  -23.4630
            12  C2y C    33.2401  -22.0625
            13  C2x C    32.0271  -21.3623
            14  C1x C    30.8143  -22.0625
            15  C1x C    34.4529  -24.1633
            16  C1x C    35.6657  -23.4630
            17  C1z C    35.6657  -22.0625
            18  C1y C    34.4529  -21.3623
            19  C1x C    36.8786  -21.3623
            20  C1x C    36.8786  -19.9618
            21  C1z C    35.6657  -19.2616
            22  C1x C    34.4529  -19.9618
            23  O1a O    25.9630  -26.2641
            24  C1a C    29.6014  -22.7630
            25  O1a O    30.8143  -27.4544
            26  C1a C    32.0271  -23.3229
            27  C6a C    36.8786  -22.7628
            28  C1a C    34.9655  -18.0487
            29  C1a C    36.3660  -18.0487
            30  C1a C    33.2401  -24.8636
            31  C1a C    27.6884  -27.6168
            32  C1a C    28.9488  -27.6168
            33  O6a O    38.1142  -22.0491
            34  O6a O    36.8787  -24.1630
BOND        38
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   12  18 1
            22   17  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   18  22 1
            27    2  23 1 #Up
            28    5  24 1 #Up
            29    7  25 1 #Up
            30    9  26 1 #Up
            31   17  27 1 #Up
            32   21  28 1
            33   21  29 1
            34   11  30 1 #Down
            35    3  31 1
            36    3  32 1
            37   27  33 1
            38   27  34 2

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