Mol:FL631CNC0002

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Copyright: ARM project http://www.metabolome.jp/
 30 33  0  0  0  0  0  0  0  0999 V2000
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    0.2097    0.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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  8 10  1  6  0  0  0
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  2 16  1  0  0  0  0
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  7 28  1  1  0  0  0
 22 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  29  30
M  SBL   1  1  32
M  SMT   1 ^OCH3
M  SBV   1 32   -5.1900    4.1373
S  SKP  8
ID	FL631CNC0002
KNApSAcK_ID	C00009324
NAME	4beta-(2,4-Dihydroxy-3-methoxyphenyl)fisetinidol
CAS_RN	126655-04-7
FORMULA	C22H20O8
EXACTMASS	412.11581761599996
AVERAGEMASS	412.3894
SMILES	c(c1)(C3c(c4)c(c(c(O)c4)OC)O)c(OC(C3O)c(c2)ccc(c2O)O)cc(O)c1
M  END

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