Mol:FL2FAANSS001

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Copyright: ARM project http://www.metabolome.jp/
 24 26  0  0  0  0  0  0  0  0999 V2000
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    0.2846    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    0.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4281    0.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1425    0.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4278    1.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7134    1.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2828   -1.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5722    0.6202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8230    1.8371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2630    0.6202    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2630    1.1735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2630    0.0836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8230    0.6202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 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 11  1  0  0  0  0
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 14 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
S  SKP  8
ID	FL2FAANSS001
KNApSAcK_ID	C00014143
NAME	5,7,4'-Trihydroxyflavanone 7-sulfate
CAS_RN	263369-39-7
FORMULA	C15H12O8S
EXACTMASS	352.02528805
AVERAGEMASS	352.31698000000006
SMILES	Oc(c3)ccc(c3)C(C2)Oc(c1)c(C(=O)2)c(O)cc1OS(O)(=O)=O
M  END

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