Mol:FLIFWYNS0003

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Copyright: ARM project http://www.metabolome.jp/
 29 32  0  0  0  0  0  0  0  0999 V2000
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   -3.1398    2.0163    0.0000 C   0  0  0  0  0  0  0  0  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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  8 11  1  0  0  0  0
 11 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
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  7 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  9  1  0  0  0  0
  1  2  1  0  0  0  0
  3 20  1  0  0  0  0
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 13 23  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
  1 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  28  29
M  SBL   3  1  31
M  SMT   3  OCH3
M  SVB   3 31   -2.6398    1.1503
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    0.6762   -1.6336
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    1.9253   -1.3249
S  SKP  8
ID	FLIFWYNS0003
KNApSAcK_ID	C00009597
NAME	Stemonacetal
CAS_RN	54357-81-2
FORMULA	C21H20O8
EXACTMASS	400.11581761599996
AVERAGEMASS	400.3787
SMILES	c(c41)(C(C(c23)=C(O4)C(Oc2cc(OC)c(OC)c3)OCC)=O)c(cc(OC)c1)O
M  END

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