KEGG   COMPOUND: C09455Help
Entry
C09455                      Compound                               

Name
Gaillardin
Formula
C17H22O5
Exact mass
306.1467
Mol weight
306.3536
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Guaianolide
    C09455  Gaillardin
BRITE hierarchy
Other DBs
CAS: 
14682-46-3
PubChem: 
ChEBI: 
ChEMBL: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        22
            1   C1y C    24.5497  -14.8587
            2   C1y C    24.2736  -16.2220
            3   C1y C    23.3318  -14.1753
            4   C2y C    25.7857  -14.2161
            5   C1x C    25.1785  -17.2883
            6   C1z C    22.8881  -16.3851
            7   C1x C    22.3069  -15.1246
            8   O7a O    23.1738  -12.7926
            9   C2x C    27.0617  -14.7781
            10  C1a C    25.7403  -12.8253
            11  C1y C    26.5741  -17.3158
            12  C1a C    22.3092  -17.8288
            13  O1a O    21.3943  -16.7062
            14  C7a C    21.7817  -12.7832
            15  C1y C    27.4099  -16.1243
            16  C2y C    27.3826  -18.3834
            17  C1a C    21.0982  -11.5706
            18  O6a O    21.0762  -13.9814
            19  O7x O    28.7327  -16.5724
            20  C7x C    28.7152  -17.9665
            21  C2a C    26.9345  -19.7064
            22  O6a O    29.8317  -18.7993
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 1 #Up
            12    6  13 1 #Down
            13    8  14 1
            14    9  15 1
            15   11  16 1
            16   14  17 1
            17   14  18 2
            18   15  19 1
            19   16  20 1
            20   16  21 2
            21   20  22 2
            22    6   7 1
            23   11  15 1
            24   19  20 1

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