Mol:FL3FAECS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 33 36  0  0  0  0  0  0  0  0999 V2000
   -1.0624   -0.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0624   -0.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5061   -1.1888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0502   -0.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0502   -0.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5061    0.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6065   -1.1888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1628   -0.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1628   -0.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6065    0.0959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6065   -1.6897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5061   -1.8310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8426    0.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4288   -0.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0150    0.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0150    0.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4288    1.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8426    0.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6158   -1.1122    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1002   -1.6897    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5846   -1.3803    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8833   -1.4628    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3783   -1.0090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9352   -1.2772    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.3154   -1.2996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7426   -1.7722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0305   -1.8907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6185    0.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4288    1.8907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6009    1.2140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154    0.8015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1362   -0.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0913   -0.0938    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
  3 12  1  0  0  0  0
 13 14  2  0  0  0  0
 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
 19 20  1  1  0  0  0
 20 21  1  1  0  0  0
 22 21  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
  2 22  1  0  0  0  0
  1 28  1  0  0  0  0
 17 29  1  0  0  0  0
 16 30  1  0  0  0  0
 30 31  1  0  0  0  0
 24 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   -3.1362   -0.3901
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    3.6009     1.214
S  SKP  8
ID	FL3FAECS0002
KNApSAcK_ID	C00006123
NAME	6-C-beta-D-Glucopyranosyldiosmetin;6-beta-D-Glucopyranosyl-5,7,3'-trihydroxy-4'-methoxyflavone;6-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN	15822-82-9
FORMULA	C22H22O11
EXACTMASS	462.116211546
AVERAGEMASS	462.40348000000006
SMILES	O(c23)C(=CC(=O)c(c(c([C@@H]([C@@H](O)4)OC([C@@H]([C@@H]4O)O)CO)c(O)c3)O)2)c(c1)ccc(c1O)OC
M  END

</pre>