Mol:FLNA29NS0001

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Copyright: ARM project http://www.metabolome.jp/
 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.9291    0.9175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9291    0.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4634    0.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    0.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    0.9175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4634    1.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4682    0.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9340    0.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9340    0.9175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4682    1.1864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4682   -0.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0122   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0122   -1.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4682   -1.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9486   -1.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9486   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3947    0.1108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3947    1.1835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2864    1.5362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7865    2.4022    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 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
  2 17  1  0  0  0  0
  9 18  2  0  0  0  0
  1 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   -1.2864    1.5362
S  SKP  8
ID	FLNA29NS0001
KNApSAcK_ID	C00002519
NAME	Dalbergin;6-Hydroxy-7-methoxy-4-phenylcoumarin
CAS_RN	482-83-7
FORMULA	C16H12O4
EXACTMASS	268.073558872
AVERAGEMASS	268.26408
SMILES	COc(c3)c(O)cc(c23)C(=CC(=O)O2)c(c1)cccc1
M  END

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