Mol:FLIA9ANS0001

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Copyright: ARM project http://www.metabolome.jp/
 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.4612    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4612    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9049    0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3486    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3486    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9049    1.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7923    0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2359    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2359    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7923    1.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3201    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3201   -0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9149   -1.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5097   -0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5097    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9149    0.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7923   -0.6318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9049   -0.6318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3757   -1.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2418   -1.6763    0.0000 C   0  0  0  0  0  0  0  0  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  1  2  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  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 16  1  0  0  0  0
 16 11  2  0  0  0  0
  1  2  1  0  0  0  0
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  21
M  SMT   1  OCH3
M  SVB   1 21    1.7467   -0.8826
S  SKP  8
ID	FLIA9ANS0001
KNApSAcK_ID	C00009842
NAME	Pallidiflorin;5-Hydroxy-4'-methoxyisoflavone
CAS_RN	133086-79-0
FORMULA	C16H12O4
EXACTMASS	268.073558872
AVERAGEMASS	268.26408
SMILES	COc(c3)ccc(c3)C(=C1)C(=O)c(c(O)2)c(ccc2)O1
M  END

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