Mol:FL4DFANS0003

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FL4DFANS0003.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 26 28  0  0  0  0  0  0  0  0999 V2000
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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  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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  7 11  2  0  0  0  0
  2 12  1  0  0  0  0
  6 13  1  0  0  0  0
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  9 15  1  6  0  0  0
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  5 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  25  26
M  SBL   1  1  27
M  SMT   1  OCH3
M  SVB   1 27    -0.623    0.8583
S  SKP  8
ID	FL4DFANS0003
KNApSAcK_ID	C00008741
NAME	3,5,7,4'-Tetrahydroxy-8-methoxyflavanone 3-acetate
CAS_RN	111514-44-4
FORMULA	C18H16O8
EXACTMASS	360.08451748799996
AVERAGEMASS	360.31484
SMILES	c(c1OC)(O)cc(c(C2=O)c(O[C@H](c(c3)ccc(O)c3)[C@H]2OC(C)=O)1)O
M  END

</pre>

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