Mol:FL5FCENI0002

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Copyright: ARM project http://www.metabolome.jp/
 29 31  0  0  0  0  0  0  0  0999 V2000
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  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
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  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
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  3 18  1  0  0  0  0
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  1 26  1  0  0  0  0
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 15 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  28  29
M  SBL   2  1  30
M  SMT   2  OCH3
M  SVB   2 30     2.993     1.127
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  26  27
M  SBL   1  1  28
M  SMT   1  OCH3
M  SVB   1 28   -1.8463    0.4428
S  SKP  8
ID	FL5FCENI0002
KNApSAcK_ID	C00005115
NAME	Isorhynchospermin
CAS_RN	101770-13-2
FORMULA	C22H22O7
EXACTMASS	398.136553058
AVERAGEMASS	398.40588
SMILES	O(C)c(c3CC=C(C)C)cc(c2c3O)OC(=C(C(=O)2)O)c(c1)cc(c(OC)c1)O
M  END

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