Mol:FL5F1CNS0007

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Copyright: ARM project http://www.metabolome.jp/
 24 27  0  0  0  0  0  0  0  0999 V2000
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   -2.2177   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0075    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5488    0.4018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5488   -1.3837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5636    0.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1306    0.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6976    0.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7736    0.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3253    1.3683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8735   -1.0617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7396   -1.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    0.0288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7960    0.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
  8 21  1  0  0  0  0
 21 22  1  0  0  0  0
  1 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  23  24
M  SBL   2  1  26
M  SMT   2  OCH3
M  SVB   2 26   -2.7736    0.6625
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  24
M  SMT   1  OCH3
M  SVB   1 24    0.2178   -0.7467
S  SKP  8
ID	FL5F1CNS0007
KNApSAcK_ID	C00005045
NAME	Demethoxykanugin;2-(1,3-Benzodioxol-5-yl)-3,7-dimethoxy-4H-1-benzopyran-4-one
CAS_RN	1668-33-3
FORMULA	C18H14O6
EXACTMASS	326.07903818
AVERAGEMASS	326.30016
SMILES	c(c41)(OCO4)ccc(C(O3)=C(C(c(c32)ccc(OC)c2)=O)OC)c1
M  END

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