KEGG   COMPOUND: C09351Help
Entry
C09351                      Compound                               

Name
Budlein A
Formula
C20H22O7
Exact mass
374.1366
Mol weight
374.3845
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Germacrenes
    C09351  Budlein A
BRITE hierarchy
Other DBs
CAS: 
59481-48-0
PubChem: 
ChEBI: 
ChEMBL: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        27
            1   O1a O    18.9096  -13.9752
            2   C1b C    20.1415  -13.2690
            3   C2y C    21.3665  -13.9752
            4   C2x C    21.3708  -15.1256
            5   O2x O    23.1657  -13.8335
            6   C1z C    24.3213  -13.0017
            7   C2x C    22.4595  -11.6445
            8   C2y C    22.0173  -13.0017
            9   C5x C    23.8804  -11.6474
            10  O5x O    24.7173  -10.5027
            11  C1y C    24.0162  -16.2296
            12  C1y C    25.0597  -15.1912
            13  C1y C    22.5293  -16.2659
            14  C2y C    24.3423  -17.5624
            15  C1x C    25.0346  -14.1193
            16  O7a O    26.6870  -15.6975
            17  O7x O    22.1975  -17.6209
            18  C7x C    23.3635  -18.4229
            19  C2a C    25.7752  -17.9659
            20  C7a C    27.9846  -14.9058
            21  O6a O    23.4028  -19.8448
            22  C1a C    25.3936  -12.2874
            23  C2c C    29.1285  -15.6939
            24  O6a O    27.9839  -13.6215
            25  C2b C    30.4203  -14.9080
            26  C1a C    29.1301  -16.9187
            27  C1a C    30.3490  -13.6944
BOND        29
            1     7   8 2
            2     5   6 1
            3     9   7 1
            4     8   5 1
            5     6   9 1
            6     2   3 1
            7     9  10 2
            8     1   2 1
            9    11  12 1
            10   11  13 1
            11   11  14 1
            12   12  15 1
            13   12  16 1 #Up
            14   13   4 1
            15   13  17 1
            16   14  18 1
            17   14  19 2
            18    6  15 1 #Up
            19   16  20 1
            20    4   3 2
            21   18  21 2
            22    6  22 1 #Down
            23   20  23 1
            24   20  24 2
            25    3   8 1
            26   23  25 2
            27   23  26 1
            28   25  27 1
            29   17  18 1

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