Mol:FL1DHXNS0004

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Copyright: ARM project http://www.metabolome.jp/
 21 22  0  0  0  0  0  0  0  0999 V2000
   -2.5457    0.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5457   -0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9917   -0.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4377   -0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4377    0.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9917    0.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8840   -0.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3315   -0.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2198   -0.3192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700   -0.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3084   -0.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8467   -0.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8467    0.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3084    0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    0.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8840   -0.9579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0994    0.9592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9917   -0.9594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3315    0.6414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3850    0.9309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0994    0.5184    0.0000 C   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 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  7 16  2  0  0  0  0
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  8 19  1  6  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  21
M  SMT   1 OCH3
M  SBV   1 21   -6.3140    3.7347
S  SKP  8
ID	FL1DHXNS0004
KNApSAcK_ID	C00007948
NAME	2',4',alpha-Trihydroxy-4-methoxydihydrochalcone
CAS_RN	114107-24-3
FORMULA	C16H16O5
EXACTMASS	288.099773622
AVERAGEMASS	288.29524
SMILES	COc(c2)ccc(c2)CC(O)C(=O)c(c1)c(O)cc(O)c1
M  END

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