Mol:FL5F2CNS0002

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Copyright: ARM project http://www.metabolome.jp/
 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.3250   -2.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2690   -1.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7952   -1.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3773   -1.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333   -2.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9071   -2.4020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9035   -1.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4857   -1.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5417   -1.9366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0155   -2.3051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8599   -0.5263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1237   -2.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6599   -1.8324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2532   -2.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3103   -2.7613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7740   -3.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1807   -2.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7990   -2.4988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3048   -0.7230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1240   -0.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3065   -2.6741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3027   -2.5870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1066   -3.6861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6247   -4.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5652   -1.6440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2410   -1.1708    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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  1 18  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  0  0  0  0
  2 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  25  26
M  SBL   4  1  27
M  SMT   4  OCH3
M  SVB   4 27   -2.9555   -0.7583
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  23  24
M  SBL   3  1  25
M  SMT   3  OCH3
M  SVB   3 25    1.3907    1.6718
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  21  22
M  SBL   2  1  23
M  SMT   2  OCH3
M  SVB   2 23     2.241    1.0956
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  21
M  SMT   1  OCH3
M  SVB   1 21     0.183    -1.056
S  SKP  8
ID	FL5F2CNS0002
KNApSAcK_ID	C00004659
NAME	Santoflavone
CAS_RN	163318-81-8
FORMULA	C19H18O7
EXACTMASS	358.10525293
AVERAGEMASS	358.34202000000005
SMILES	O(c12)C(c(c3)cc(OC)c(OC)c3)=C(C(c1cc(OC)c(O)c2)=O)OC
M  END

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