Mol:FL1C3CGS0018

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FL1C3CGS0018.png

 
 
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 33 35  0  0  0  0  0  0  0  0999 V2000 
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  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
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  7 16  2  0  0  0  0 
  3 17  1  0  0  0  0 
  1 18  1  0  0  0  0 
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 12 20  1  0  0  0  0 
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 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  32 
M  SMT   1 ^OCH3 
M  SBV   1 32   -9.5211    4.7337 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  32  33 
M  SBL   2  1  34 
M  SMT   2 ^CH2OH 
M  SBV   2 34   -8.8316    5.1143 
S  SKP  8 
ID	FL1C3CGS0018 
KNApSAcK_ID	C00007909 
NAME	Lanceolin 
CAS_RN	64181-95-9 
FORMULA	C22H24O11 
EXACTMASS	464.13186161 
AVERAGEMASS	464.41936000000004 
SMILES	OC(C1O)C(Oc(c(OC)2)ccc(C(=O)C=Cc(c3)cc(c(O)c3)O)c(O)2)OC(CO)C1O 
M  END
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