Mol:FL5FABNI0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 28 30  0  0  0  0  0  0  0  0999 V2000
   -2.3202   -0.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3202   -1.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7639   -1.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2076   -1.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2076   -0.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7639   -0.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6513   -1.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0950   -1.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0950   -0.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6513   -0.1603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6513   -1.9459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4611   -0.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0281   -0.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5950   -0.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5950    0.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0281    0.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4611    0.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8763   -0.1604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4611   -1.4449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7639    0.4818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3200    0.8029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3200    1.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8761    1.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7639    1.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3200    2.0871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7639   -2.0871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1618    0.8215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8763    0.4090    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
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
  3 26  1  0  0  0  0
 15 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  27  28
M  SBL   1  1  29
M  SMT   1 OCH3
M  SBV   1 29   -8.2255    4.0120
S  SKP  8
ID	FL5FABNI0002
KNApSAcK_ID	C00005118
NAME	Icaritin
CAS_RN	-
FORMULA	C21H22O7
EXACTMASS	386.136553058
AVERAGEMASS	386.39518
SMILES	C(C)(C)(O)CCc(c12)c(O)cc(c1C(C(O)=C(c(c3)ccc(OC)c3)O2)=O)O
M  END

</pre>