Mol:FL4DA9NS0012

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Copyright: ARM project http://www.metabolome.jp/
 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.4701    0.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7574    1.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4669    0.0119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7501   -0.3975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    0.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0411    0.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3212   -0.3911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3914    0.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3878    0.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3285    1.2588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0416    1.2303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7576    0.8206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4673    2.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7512    2.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0384    2.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3201   -1.0344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0625    1.1789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2168   -0.4081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2168   -1.2331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5023   -1.6456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9312   -1.6456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9312   -2.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6457   -1.2331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625    0.8941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  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  2  1  0  0  0  0
  5  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  6  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
  4 18  1  0  0  0  0
  8 20  1  0  0  0  0
  1 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 13 26  1  0  0  0  0
S  SKP  8
ID	FL4DA9NS0012
KNApSAcK_ID	C00014374
NAME	5,7,3'-Trihydroxy-3-O-isobutyrylflavanone
CAS_RN	160012-84-0
FORMULA	C19H18O7
EXACTMASS	358.10525293
AVERAGEMASS	358.34202000000005
SMILES	c(c12)(O)cc(O)cc(OC(c(c3)cc(O)cc3)C(C2=O)OC(=O)C(C)C)1
M  END

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