Mol:FL5FACGS0014

<pre>

Copyright: ARM project http://www.metabolome.jp/
 33 36  0  0  0  0  0  0  0  0999 V2000
   -0.4176   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4176   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1387   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6950   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6950   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1387    0.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2513   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8076   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8076   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2513    0.1452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2513   -1.6403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3637    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9307   -0.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4977    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4977    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9307    1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3637    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9737    0.1451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1387   -1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9820    1.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3637   -1.1394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9307    1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3021   -0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8966   -0.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3128   -0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7043   -0.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1588    0.0777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7552   -0.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9820   -0.4223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5287   -0.5957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9783   -0.8994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5034    0.4214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7890    0.0089    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
 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
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 20 15  1  0  0  0  0
  8 21  1  0  0  0  0
 16 22  1  0  0  0  0
 23 24  1  1  0  0  0
 24 25  1  1  0  0  0
 26 25  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 31  1  0  0  0  0
 26 18  1  0  0  0  0
 28 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  32  33
M  SBL   1  1  35
M  SMT   1 CH2OH
M  SBV   1 35   -4.8023    4.2800
S  SKP  8
ID	FL5FACGS0014
KNApSAcK_ID	C00005382
NAME	Quercimeritrin
CAS_RN	491-50-9
FORMULA	C21H20O12
EXACTMASS	464.095476104
AVERAGEMASS	464.37629999999996
SMILES	c(O)(c(O)4)ccc(c4)C(=C3O)Oc(c1)c(C3=O)c(cc(OC(O2)C(O)C(O)C(O)C2CO)1)O
M  END

</pre>