Mol:FLIHALNP0002

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Copyright: ARM project http://www.metabolome.jp/
 28 31  0  0  0  0  0  0  0  0999 V2000
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   -0.3364    0.5162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8927    0.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2199   -0.4473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7762   -0.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7762    0.5162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2199    0.8374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3323   -0.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3323   -1.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9271    0.5823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1161   -1.4771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5612    1.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0656    0.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1161    1.4774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6146   -1.0204    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  2 17  1  0  0  0  0
  1 18  1  0  0  0  0
  9 19  2  0  0  0  0
 16 20  1  0  0  0  0
 14 21  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 17  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
  3 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  27  28
M  SBL   1  1  30
M  SMT   1 OCH3
M  SBV   1 30   -6.3982    4.0269
S  SKP  8
ID	FLIHALNP0002
KNApSAcK_ID	C00010042
NAME	Licopyranocoumarin
CAS_RN	117038-80-9
FORMULA	C21H20O7
EXACTMASS	384.120902994
AVERAGEMASS	384.37929999999994
SMILES	C(=C(c(c4)c(O)cc(O)c4)3)c(c(OC(=O)3)1)c(c(C2)c(OC(C2)(C)CO)c1)OC
M  END

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