Mol:FL5FAENS0001

Revision as of 09:00, 7 October 2008

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.3202   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3202   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7639   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2076   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2076   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7639    0.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6513   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0950   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0950   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6513    0.1452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6513   -1.6403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4611    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0281   -0.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5950    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5950    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0281    1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4611    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4611   -1.1394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8763    0.1451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7639   -1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0281    1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1618    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8763    0.7145    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
  8 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
 16 21  1  0  0  0  0
 15 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   -6.3693    3.6782
S  SKP  8
ID	FL5FAENS0001
KNApSAcK_ID	C00004636
NAME	Tamarixetin;3,3',5,7-Tetrahydroxy-4'-methoxyflavone;4'-O-Methylquercetin;3,5,7-Trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN	603-61-2
FORMULA	C16H12O7
EXACTMASS	316.058302738
AVERAGEMASS	316.26228000000003
SMILES	COc(c3)c(O)cc(c3)C(O1)=C(O)C(=O)c(c(O)2)c(cc(O)c2)1
M  END

</pre>