Mol:FLIA2LNS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 28  0  0  0  0  0  0  0  0999 V2000 
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   -2.1566    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.0440    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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 14 15  1  0  0  0  0 
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  1 18  1  0  0  0  0 
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  2 22  1  0  0  0  0 
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 12 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  22  23 
M  SBL   1  1  25 
M  SMT   1 ^OCH3 
M  SBV   1 25   -6.7857    3.3408 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  24  25 
M  SBL   2  1  27 
M  SMT   2 ^OCH3 
M  SBV   2 27   -6.7857    3.3188 
S  SKP  8 
ID	FLIA2LNS0002 
KNApSAcK_ID	C00009419 
NAME	Dalpatein 
CAS_RN	40009-88-9 
FORMULA	C18H14O7 
EXACTMASS	342.073952802 
AVERAGEMASS	342.29956000000004 
SMILES	c(c34)c(c(OC)cc3OCO4)C(C2=O)=COc(c21)cc(O)c(OC)c1 
M  END