Mol:FLIHBCNP0001

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FLIHBCNP0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 29 33  0  0  0  0  0  0  0  0999 V2000
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  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  2  0  0  0  0
  8  9  1  0  0  0  0
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  1 22  1  0  0  0  0
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 23 27  1  0  0  0  0
  3 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  28  29
M  SBL   1  1  32
M  SMT   1 OCH3
M  SBV   1 32   -5.6362    5.4981
S  SKP  8
ID	FLIHBCNP0001
KNApSAcK_ID	C00009789
NAME	Robustin
CAS_RN	22044-61-7
FORMULA	C22H18O7
EXACTMASS	394.10525293
AVERAGEMASS	394.37412000000006
SMILES	c(c21)c(C(C5=O)=C(c(c(O5)3)c(c(C=4)c(OC(C4)(C)C)c3)OC)O)ccc1OCO2
M  END

</pre>

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