Mol:FL2FEANS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.8949    0.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8949   -0.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3386   -0.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7823   -0.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7823    0.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3386    0.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2260   -0.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3303   -0.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3303    0.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2260    0.4661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8864    0.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4534    0.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0203    0.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0203    1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4534    1.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8864    1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2260   -1.3624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4865    0.4865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6094    1.4608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3386   -1.4608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6094   -0.4060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8949   -0.8185    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  1  2  0  0  0  0
  4  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
 10  5  1  0  0  0  0
  9 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
 18  1  1  0  0  0  0
 14 19  1  0  0  0  0
  3 20  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  23
M  SMT   1 ^OCH3
M  SBV   1 23   -7.0190    2.4639
S  SKP  8
ID	FL2FEANS0002
KNApSAcK_ID	C00008233
NAME	5,7,4'-Trihydroxy-6-methoxyflavanone
CAS_RN	94942-49-1
FORMULA	C16H14O6
EXACTMASS	302.07903818
AVERAGEMASS	302.27876000000003
SMILES	COc(c(O)3)c(O)c(C(=O)2)c(c3)OC(C2)c(c1)ccc(O)c1
M  END

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