Mol:FLICQUNS0008

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 30  0  0  0  0  0  0  0  0999 V2000 
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   -0.9913    0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5476    1.1629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4350   -0.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1213    0.1994    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.1213    0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.0832   -1.1516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4612    0.2214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7330   -1.3085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5991   -1.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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  2  3  2  0  0  0  0 
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M  STY  1   5 SUP 
M  SLB  1   5   5 
M  SAL   5  2  27  28 
M  SBL   5  1  29 
M  SMT   5  OCH3 
M  SVB   5 29    0.8548   -1.3234 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  25  26 
M  SBL   4  1  27 
M  SMT   4  OCH3 
M  SVB   4 27   -1.2696    1.7359 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  23  24 
M  SBL   3  1  25 
M  SMT   3  OCH3 
M  SVB   3 25   -2.8184    0.2908 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  21  22 
M  SBL   2  1  23 
M  SMT   2  OCH3 
M  SVB   2 23   -2.4612    1.4605 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  19  20 
M  SBL   1  1  21 
M  SMT   1  OCH3 
M  SVB   1 21    2.1039   -1.0148 
S  SKP  8 
ID	FLICQUNS0008 
KNApSAcK_ID	C00009747 
NAME	Abruquinone B;6,7,8,3',4'-Pentamethoxyisoflavanquinone 
CAS_RN	71593-09-4 
FORMULA	C20H22O8 
EXACTMASS	390.13146768 
AVERAGEMASS	390.38388000000003 
SMILES	COc(c3OC)cc(c(c3OC)2)CC(CO2)c(c1=O)cc(c(c1OC)OC)=O 
M  END