Mol:FLIHBCNP0002

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FLIHBCNP0002.png

 
 
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 30 34  0  0  0  0  0  0  0  0999 V2000 
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    0.2411    1.3802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  4  5  2  0  0  0  0 
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  6  1  2  0  0  0  0 
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  7 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
  3 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  27  28 
M  SBL   1  1  31 
M  SMT   1 OCH3 
M  SBV   1 31   -5.2220    5.0853 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  29  30 
M  SBL   2  1  33 
M  SMT   2 OCH3 
M  SBV   2 33   -5.2220    5.0853 
S  SKP  8 
ID	FLIHBCNP0002 
KNApSAcK_ID	C00009790 
NAME	Robustin methyl ether 
CAS_RN	22044-62-8 
FORMULA	C23H20O7 
EXACTMASS	408.120902994 
AVERAGEMASS	408.40070000000003 
SMILES	c(c5)(ccc(c54)OCO4)C(=C1OC)C(=O)Oc(c2)c(c(OC)c(C=3)c2OC(C3)(C)C)1 
M  END
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