Mol:FLNA29NS0003

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Copyright: ARM project http://www.metabolome.jp/
 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.6203    1.6253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0640    1.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5077    1.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0484    1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0484    0.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6252    0.3053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2019    0.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2019    1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6252    1.6372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0638    0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5077    0.3410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6252   -0.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0722   -0.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0722   -1.3179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6252   -1.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1781   -1.3179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1781   -0.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7782    1.6369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7782    0.7541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0638    0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
  6 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 17  2  0  0  0  0
 17 12  1  0  0  0  0
  8 18  2  0  0  0  0
 10 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  SBV   1 21   -5.8357    5.1028
S  SKP  8
ID	FLNA29NS0003
KNApSAcK_ID	C00010194
NAME	Isodalbergin;7-Hydroxy-6-methoxy-4-phenylcoumarin
CAS_RN	605-09-4
FORMULA	C16H12O4
EXACTMASS	268.073558872
AVERAGEMASS	268.26408
SMILES	COc(c(O)3)cc(c2c3)C(=CC(=O)O2)c(c1)cccc1
M  END

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