KEGG   COMPOUND: C09952Help
Entry
C09952                      Compound                               

Name
Methysticin
Formula
C15H14O5
Exact mass
274.0841
Mol weight
274.2687
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Phytochemical compounds [BR:br08003]
 Polyketides
  Pyrones
   alpha-Pyrones
    C09952  Methysticin
BRITE hierarchy
Other DBs
CAS: 
495-85-2
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        20
            1   C8y C    22.7651  -16.4859
            2   C8y C    22.7651  -15.0806
            3   C8x C    23.9837  -17.1796
            4   O2x O    21.4298  -16.9115
            5   C8x C    23.9837  -14.3752
            6   O2x O    21.4357  -14.6492
            7   C8y C    25.1964  -16.4859
            8   C1x C    20.6077  -15.7745
            9   C8x C    25.1964  -15.0806
            10  C2b C    26.4033  -17.1796
            11  C2b C    27.6160  -16.4916
            12  C1y C    28.8229  -17.1856
            13  C1x C    28.8229  -18.5849
            14  O7x O    30.0299  -16.4916
            15  C2y C    30.0299  -19.2903
            16  C7x C    31.2427  -17.1913
            17  C2x C    31.2427  -18.5907
            18  O2a O    30.0241  -20.6955
            19  O6a O    32.4613  -16.4975
            20  C1a C    31.2427  -21.3951
BOND        22
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 1
            8     5   9 2
            9     7  10 1
            10   10  11 2
            11   11  12 1
            12   12  13 1
            13   12  14 1
            14   13  15 1
            15   14  16 1
            16   15  17 2
            17   15  18 1
            18   16  19 2
            19   18  20 1
            20    6   8 1
            21    7   9 1
            22   16  17 1

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