Mol:FL2FA8GS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
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    0.2911   -0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8119   -0.4575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8119    0.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2911    0.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.8537    0.1439    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    1.3328    0.4447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3328   -1.2822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2911   -1.3591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.9621    0.1381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.9047    1.3591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.9063    0.6324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8921    0.8001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  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 
  3  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  4  1  0  0  0  0 
  7 11  2  0  0  0  0 
  2 12  1  0  0  0  0 
  6 13  1  0  0  0  0 
  9 14  1  0  0  0  0 
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 26 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  SVB   1 33   -2.9063    0.6324 
S  SKP  8 
ID	FL2FA8GS0003 
KNApSAcK_ID	C00008414 
NAME	5,7,2'-Trihydroxyflavanone 7-glucoside 
CAS_RN	27960-47-0 
FORMULA	C21H22O10 
EXACTMASS	434.121296924 
AVERAGEMASS	434.39338 
SMILES	c(C(C4)Oc(c3C(=O)4)cc(cc(O)3)O[C@H](O2)[C@@H](O)[C@@H](O)[C@@H](O)C2CO)(c(O)1)cccc1 
M  END