KEGG   COMPOUND: C09443Help
Entry
C09443                      Compound                               

Name
Eupatoroxin
Formula
C20H24O8
Exact mass
392.1471
Mol weight
392.3998
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Guaianolide
    C09443  Eupatoroxin
BRITE hierarchy
Other DBs
CAS: 20071-51-6
PubChem: 11634
ChEBI: 4938
ChEMBL: CHEMBL399672
KNApSAcK: C00003279
3DMET: B02971
NIKKAJI: J16.113F
KCF data Show

ATOM        28
            1   O7a O    27.4677  -15.7547
            2   C7a C    28.7313  -14.9872
            3   C2c C    29.9315  -15.6913
            4   O6a O    28.7313  -13.5933
            5   C1z C    23.0137  -15.0168
            6   C1z C    21.6429  -15.1724
            7   C1y C    23.3153  -13.6565
            8   C1y C    23.9100  -16.1122
            9   O1a O    22.3255  -16.2237
            10  C1y C    21.0684  -13.9076
            11  O2x O    20.2618  -15.1842
            12  C1a C    20.9451  -16.3704
            13  C1z C    24.5727  -13.0241
            14  C1y C    22.1023  -12.9605
            15  C1y C    25.3180  -16.0878
            16  O7x O    23.4993  -17.4602
            17  C1x C    25.8458  -13.6065
            18  C1x C    24.5527  -11.6323
            19  O2x O    25.7671  -12.3129
            20  O1a O    21.9516  -11.5749
            21  C1y C    26.1729  -14.9651
            22  C2y C    25.7671  -17.4193
            23  C7x C    24.6489  -18.2676
            24  C2a C    27.1020  -17.8295
            25  O6a O    24.6739  -19.6622
            26  C1a C    31.1473  -14.9903
            27  C2b C    29.9279  -17.0922
            28  C1a C    28.7190  -17.7861
BOND        32
            1     5   6 1
            2     5   7 1
            3     5   8 1
            4     5   9 1 #Down
            5     6  10 1
            6     6  11 1
            7     6  12 1 #Up
            8     7  13 1
            9     7  14 1
            10    8  15 1
            11    8  16 1
            12   13  17 1
            13   13  18 1 #Up
            14   13  19 1 #Down
            15   14  20 1 #Up
            16   15  21 1
            17   15  22 1
            18   16  23 1
            19   21   1 1 #Up
            20   22  24 2
            21   23  25 2
            22   10  11 1
            23   10  14 1
            24   17  21 1
            25   18  19 1
            26   22  23 1
            27    3  26 1
            28    2   3 1
            29    3  27 2
            30    1   2 1
            31   27  28 1
            32    2   4 2

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