Mol:FL3FAGCS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
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    1.3739    1.0802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6226   -1.0826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0132    1.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2987    1.1043    0.0000 O   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 
  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  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  1 12  1  0  0  0  0 
 13 14  1  1  0  0  0 
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 17 18  1  0  0  0  0 
 18 13  1  0  0  0  0 
 13 19  1  0  0  0  0 
 14 20  1  0  0  0  0 
 15 21  1  0  0  0  0 
  6 16  1  0  0  0  0 
  9 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  2  0  0  0  0 
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 27 22  1  0  0  0  0 
 25 28  1  0  0  0  0 
  3 29  1  0  0  0  0 
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 24 31  1  0  0  0  0 
 18 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  32  33 
M  SBL   1  1  35 
M  SMT   1 CH2OH 
M  SBV   1 35   -7.0310    5.5381 
S  SKP  8 
ID	FL3FAGCS0002 
KNApSAcK_ID	C00006108 
NAME	5,7,3',4',5'-Pentahydroxyflavone 8-C-glucopyranoside 
CAS_RN	- 
FORMULA	C21H20O12 
EXACTMASS	464.095476104 
AVERAGEMASS	464.37629999999996 
SMILES	c(c(O)1)(C(=O)3)c(OC(c(c4)cc(O)c(O)c(O)4)=C3)c(C(C(O)2)OC(CO)C(O)C2O)c(O)c1 
M  END