Mol:FL2FE8NS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.8577    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8577   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3014   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7451   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7451    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3014    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1888   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3675   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3675    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1888    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9236    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4906    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0576    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0576    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4906    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9236    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1888   -1.3560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3014   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3568    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4140    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5721    0.1753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5721   -0.4203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8577   -0.8328    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
  3 18  1  0  0  0  0
 16 19  1  0  0  0  0
 20  1  1  0  0  0  0
 13 21  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  22  23
M  SBL   1  1  24
M  SMT   1 ^OCH3
M  SBV   1 24   -9.1886    5.5433
S  SKP  8
ID	FL2FE8NS0002
KNApSAcK_ID	C00008337
NAME	5,7,2',5'-Tetrahydroxy-6-methoxyflavanone
CAS_RN	81524-09-6
FORMULA	C16H14O7
EXACTMASS	318.073952802
AVERAGEMASS	318.27816
SMILES	COc(c(O)3)c(O)c(C(=O)2)c(c3)OC(C2)c(c1)c(O)ccc(O)1
M  END

</pre>