KEGG   COMPOUND: C09350
Entry
C09350                      Compound                               
Name
Bakkenolide A
Formula
C15H22O2
Exact mass
234.1620
Mol weight
234.33
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Others
    C09350  Bakkenolide A
Other DBs
CAS: 19906-72-0
PubChem: 11541
KNApSAcK: C00003225
NIKKAJI: J16.122E
LinkDB
KCF data

ATOM        17
            1   C1z C    25.8645  -14.9742
            2   C1x C    25.0365  -16.1055
            3   C1x C    25.0423  -13.8255
            4   C2y C    26.4944  -13.7264
            5   C7x C    26.8557  -15.9538
            6   C1z C    23.7011  -15.6623
            7   C1y C    23.7071  -14.2511
            8   C1x C    27.8763  -13.9422
            9   C2a C    25.8645  -12.4785
            10  O7x O    28.0920  -15.3241
            11  O6a O    26.6285  -17.3359
            12  C1y C    22.4941  -16.3620
            13  C1a C    23.6837  -17.0560
            14  C1x C    22.4941  -13.5573
            15  C1x C    21.2813  -15.6566
            16  C1a C    22.4824  -17.7615
            17  C1x C    21.2813  -14.2511
BOND        19
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1 #Up
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 2
            11    6  12 1
            12    6  13 1 #Up
            13    7  14 1
            14   12  15 1
            15   12  16 1 #Up
            16   14  17 1
            17    6   7 1
            18    8  10 1
            19   15  17 1

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