Mol:FL6FBBNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 21 23  0  0  0  0  0  0  0  0999 V2000 
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   -2.3202   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.2076    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.0950    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6513    0.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4611    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0281    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.4611    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.1618    1.4197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8763    1.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2003   -1.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4859   -1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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  3  4  1  0  0  0  0 
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  3 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  18  19 
M  SBL   1  1  20 
M  SMT   1 OCH3 
M  SBV   1 20   -5.6680    2.8571 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  20  21 
M  SBL   2  1  22 
M  SMT   2 OCH3 
M  SBV   2 22   -6.6713    2.3693 
S  SKP  8 
ID	FL6FBBNS0001 
KNApSAcK_ID	C00008756 
NAME	7-Hydroxy-5,4'-dimethoxyflavan 
CAS_RN	103461-94-5 
FORMULA	C17H18O4 
EXACTMASS	286.120509064 
AVERAGEMASS	286.32241999999997 
SMILES	COc(c3)ccc(c3)C(C2)Oc(c1)c(C2)c(OC)cc(O)1 
M  END