Mol:FL2F9ANS0001

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Copyright: ARM project http://www.metabolome.jp/
 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.2601   -0.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7392   -0.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2184   -0.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2184    0.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7392    0.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2601    0.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7392   -1.3075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6975   -0.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1766   -0.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1766    0.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6975    0.4008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3438    0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6975   -1.3260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8781    0.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    1.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8781    1.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3438    1.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6604   -0.7325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9460    1.3255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6604    0.9130    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
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  4  1  0  0  0  0
 10 12  1  0  0  0  0
  8 13  2  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 12  1  0  0  0  0
  1 19  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  22
M  SMT   1 OCH3
M  SBV   1 22   -4.7189    7.5830
S  SKP  8
ID	FL2F9ANS0001
KNApSAcK_ID	C00008391
NAME	5,6-Dihydroxy-4'-methoxyflavanone
CAS_RN	123067-26-5
FORMULA	C16H14O5
EXACTMASS	286.084123558
AVERAGEMASS	286.27936
SMILES	COc(c3)ccc(c3)C(C2)Oc(c1)c(C(=O)2)c(O)c(O)c1
M  END

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