Mol:FLIA1CGS0001

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Copyright: ARM project http://www.metabolome.jp/
 32 36  0  0  0  0  0  0  0  0999 V2000
   -1.2440    1.2260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6877    0.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1314    1.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4247    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4247    0.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0015   -0.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5782    0.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5782    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0015    1.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875    0.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1314   -0.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0015   -0.7595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1545   -0.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1545   -0.7304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7059   -1.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2572   -0.7304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2572   -0.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7059    0.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7951    0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1699    1.2006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375    0.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7304    0.8056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0046    0.3061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8383   -1.6714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4714   -1.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7304   -1.1564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0359    1.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2390    1.5245    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  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  1  1  0  0  0
 22 21  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22  1  1  0  0  0  0
 15 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 16  1  0  0  0  0
 24 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  31  32
M  SBL   1  1  35
M  SMT   1 ^CH2OH
M  SBV   1 35   -4.8546    5.7257
S  SKP  8
ID	FLIA1CGS0001
KNApSAcK_ID	C00010085
NAME	Pseudobaptigenin 7-O-glucoside;Rothindin
CAS_RN	63347-43-3
FORMULA	C22H20O10
EXACTMASS	444.10564686
AVERAGEMASS	444.3882
SMILES	c(O5)(c4OC5)cc(cc4)C(C(=O)1)=COc(c2)c(ccc2OC(C(O)3)OC(CO)C(O)C3O)1
M  END

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