Mol:FL5F1AGS0002

Revision as of 09:00, 7 October 2008

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Copyright: ARM project http://www.metabolome.jp/
 31 34  0  0  0  0  0  0  0  0999 V2000
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    1.8416    1.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4540    0.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1217    1.2874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8986    1.7990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8965    1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4616    0.8356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1761    0.4231    0.0000 O   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
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 18  8  1  0  0  0  0
  1 19  1  0  0  0  0
 21 22  1  0  0  0  0
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 23 24  1  1  0  0  0
 25 24  1  1  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 21 27  1  0  0  0  0
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 25 29  1  0  0  0  0
 22 20  1  0  0  0  0
 20 15  1  0  0  0  0
 24 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  30  31
M  SBL   1  1  33
M  SMT   1 CH2OH
M  SBV   1 33   -5.0670    3.2602
S  SKP  8
ID	FL5F1AGS0002
KNApSAcK_ID	C00005129
NAME	Resokaempferol 4'-glucoside
CAS_RN	24502-04-3
FORMULA	C21H20O10
EXACTMASS	432.10564686
AVERAGEMASS	432.37749999999994
SMILES	c(c3)(ccc(OC(O4)C(O)C(O)C(O)C4CO)c3)C(=C2O)Oc(c1)c(C2=O)ccc(O)1
M  END

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