Mol:FL5FCACS0001

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FL5FCACS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
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    3.2983    1.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.8092    0.2529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  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 
  3 12  1  0  0  0  0 
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 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 13  1  0  0  0  0 
  9 13  1  0  0  0  0 
 16 19  1  0  0  0  0 
 20 21  1  1  0  0  0 
 21 22  1  1  0  0  0 
 23 22  1  1  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 20  1  0  0  0  0 
 20 26  1  0  0  0  0 
 21 27  1  0  0  0  0 
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  2 23  1  0  0  0  0 
  8 29  1  0  0  0  0 
  1 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
 25 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  32  33 
M  SBL   2  1  35 
M  SMT   2  CH2OH 
M  SVB   2 35   -2.8542   -0.0439 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  33 
M  SMT   1  OCH3 
M  SVB   1 33   -1.1364    0.7317 
S  SKP  8 
ID	FL5FCACS0001 
KNApSAcK_ID	C00006131 
NAME	Keyakinin;6-beta-D-Glucopyranosyl-3,4',5-trihydroxy-7-methoxyflavone;6-beta-D-Glucopyranosyl-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one 
CAS_RN	10515-26-1 
FORMULA	C22H22O11 
EXACTMASS	462.116211546 
AVERAGEMASS	462.40348000000006 
SMILES	c(c4OC)(c(O)c(C3=O)c(c4)OC(=C3O)c(c2)ccc(c2)O)[C@H](O1)[C@@H](O)[C@H]([C@H](C1CO)O)O 
M  END
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