Mol:FLIA1CNS0001

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Copyright: ARM project http://www.metabolome.jp/
 21 24  0  0  0  0  0  0  0  0999 V2000
   -1.6237    0.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6237    0.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1579    0.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6921    0.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6921    0.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1579    1.2093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2263    0.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2394    0.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2394    0.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2263    1.2093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7052    0.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1710    0.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7052   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1710   -0.6731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6368   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6368    0.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0365    1.2554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2262   -0.8663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2828   -1.1992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8177   -1.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0365   -0.7640    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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 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 12  1  0  0  0  0
 17  1  1  0  0  0  0
  7 18  2  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
S  SKP  8
ID	FLIA1CNS0001
KNApSAcK_ID	C00002565
NAME	Pseudobaptigenin
CAS_RN	90-29-9
FORMULA	C16H10O5
EXACTMASS	282.05282343
AVERAGEMASS	282.2476
SMILES	Oc(c4)cc(O3)c(c4)C(=O)C(=C3)c(c1)cc(O2)c(OC2)c1
M  END

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