Mol:FLIFWYNS0004

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FLIFWYNS0004.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 26 29  0  0  0  0  0  0  0  0999 V2000
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    2.3196    0.7783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6051    1.1908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6051    2.0158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8907    0.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
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  5  6  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  4  23  24  25  26
M  SBL   1  1  26
M  SMT   1 ^OCOCH3
M  SBV   1 26   -4.4382    3.9017
S  SKP  8
ID	FLIFWYNS0004
KNApSAcK_ID	C00009987
NAME	Repenone;6a,12a-Dehydro-9,10,11-trihydroxy-6-acetoxyrotenone
CAS_RN	128486-15-7
FORMULA	C18H12O8
EXACTMASS	356.05321735999996
AVERAGEMASS	356.28308
SMILES	O(c34)C(C(O1)=C(c3cccc4)C(c(c2O)c1cc(c2O)O)=O)OC(C)=O
M  END

</pre>

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