Mol:FLNAACGS0001

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Copyright: ARM project http://www.metabolome.jp/
 32 35  0  0  0  0  0  0  0  0999 V2000
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    0.6245    0.9572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7780    1.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  5 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
  7 17  2  0  0  0  0
 14 18  1  0  0  0  0
 10 19  1  0  0  0  0
 20 21  1  1  0  0  0
 21 22  1  1  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 19  1  0  0  0  0
 15 29  1  0  0  0  0
  1 30  1  0  0  0  0
 25 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  31  32
M  SBL   1  1  34
M  SMT   1  CH2OH
M  SVB   1 34    -1.617   -0.0064
S  SKP  8
ID	FLNAACGS0001
KNApSAcK_ID	C00010248
NAME	5,7,3',4'-Tetrahydroxy-4-phenylcoumarin 5-O-glucoside
CAS_RN	116329-89-6
FORMULA	C21H20O11
EXACTMASS	448.100561482
AVERAGEMASS	448.3769
SMILES	[C@@H]([C@@H]1Oc(c23)cc(O)cc2OC(=O)C=C(c(c4)cc(c(O)c4)O)3)(O)[C@@H](O)[C@@H](O)C(O1)CO
M  END

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