Mol:FLIAADCS0001

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Copyright: ARM project http://www.metabolome.jp/
 33 36  0  0  0  0  0  0  0  0999 V2000
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  4  5  2  0  0  0  0
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  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
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  1 12  1  0  0  0  0
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  6 16  1  0  0  0  0
  3 22  1  0  0  0  0
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 30 31  1  0  0  0  0
 26 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  30  31
M  SBL   1  1  33
M  SMT   1 CH2OH
M  SBV   1 33   -7.2619    5.7810
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  32  33
M  SBL   2  1  35
M  SMT   2 OCH3
M  SBV   2 35   -7.1112    5.8680
S  SKP  8
ID	FLIAADCS0001
KNApSAcK_ID	C00006132
NAME	Dalpanitin
CAS_RN	40522-83-6
FORMULA	C22H22O11
EXACTMASS	462.116211546
AVERAGEMASS	462.40348000000006
SMILES	C(C4CO)(C(C(O)C(O4)c(c12)c(O)cc(O)c(C(C(c(c3)cc(c(c3)O)OC)=CO2)=O)1)O)O
M  END

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