KEGG   COMPOUND: C17067
Entry
C17067                      Compound                               

Name
Siaresinol;
Siaresinolic acid
Formula
C30H48O4
Exact mass
472.3553
Mol weight
472.6997
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Others
    C17067  Siaresinol
Other DBs
PubChem: 96023545
ChEBI: 80903
ChEMBL: CHEMBL495641
NIKKAJI: J14.008B
KCF data

ATOM        34
            1   C1x C    27.1515  -24.2110
            2   C1y C    27.1515  -25.6104
            3   C1z C    28.3633  -26.3100
            4   C1y C    29.5752  -25.6104
            5   C1z C    29.5752  -24.2110
            6   C1x C    28.3633  -23.5114
            7   C1x C    30.7870  -26.3100
            8   C1x C    31.9989  -25.6104
            9   C1z C    31.9989  -24.2110
            10  C1y C    30.7870  -23.5114
            11  C1z C    33.2108  -23.5114
            12  C2y C    33.2108  -22.1120
            13  C2x C    31.9989  -21.4124
            14  C1x C    30.7870  -22.1120
            15  C1x C    34.4226  -24.2110
            16  C1x C    35.6344  -23.5114
            17  C1z C    35.6344  -22.1120
            18  C1y C    34.4226  -21.4124
            19  C1x C    36.8462  -21.4124
            20  C1x C    36.8463  -20.0131
            21  C1z C    35.6345  -19.3134
            22  C1y C    34.4226  -20.0131
            23  O1a O    25.9397  -26.3100
            24  C1a C    27.6637  -27.6618
            25  C1a C    29.2030  -27.6618
            26  C1a C    29.5752  -22.8117
            27  C1a C    31.9989  -23.3717
            28  C6a C    36.8462  -22.8117
            29  C1a C    33.2108  -24.9107
            30  O1a O    33.4332  -19.0236
            31  C1a C    34.9348  -18.1015
            32  C1a C    36.3342  -18.1015
            33  O6a O    38.0808  -22.0987
            34  O6a O    36.8463  -24.2107
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    3  24 1
            29    3  25 1
            30    5  26 1 #Up
            31    9  27 1 #Up
            32   17  28 1 #Up
            33   11  29 1 #Down
            34   22  30 1 #Down
            35   21  31 1
            36   21  32 1
            37   28  33 1
            38   28  34 2

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