KEGG   COMPOUND: C09489Help
Entry
C09489                      Compound                               

Name
Lactucin
Formula
C15H16O5
Exact mass
276.0998
Mol weight
276.2845
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Guaianolide
    C09489  Lactucin
BRITE hierarchy
Other DBs
CAS: 
1891-29-8
PubChem: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        20
            1   C1y C    24.8983  -15.0594
            2   C1y C    25.7539  -16.1750
            3   C2y C    25.2371  -13.6992
            4   C2y C    23.5151  -15.1557
            5   C1y C    27.1666  -16.1946
            6   O7x O    25.2998  -17.5098
            7   C5x C    24.0476  -12.9648
            8   C2y C    26.5159  -13.1072
            9   C2x C    22.9815  -13.8727
            10  C1b C    22.7807  -16.3452
            11  C2y C    27.5837  -17.5410
            12  C1y C    28.0580  -15.1055
            13  C7x C    26.4333  -18.3536
            14  O5x O    23.9415  -11.5754
            15  C1x C    27.7698  -13.7308
            16  C1a C    26.5309  -11.7125
            17  O1a O    21.3887  -16.3042
            18  C2a C    28.9006  -17.9907
            19  O1a O    29.4116  -15.4331
            20  O6a O    26.4801  -19.7502
BOND        22
            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 2
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 2
            14    8  15 1
            15    8  16 1
            16   10  17 1
            17   11  18 2
            18   12  19 1 #Down
            19   13  20 2
            20    7   9 1
            21   11  13 1
            22   12  15 1

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