Mol:FL3FEAGS0032

<pre>

Copyright: ARM project http://www.metabolome.jp/
 39 42  0  0  0  0  0  0  0  0999 V2000
   -0.7916   -0.9798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7916   -1.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3405   -1.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1106   -1.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1106   -1.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3405   -0.7606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5616   -1.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0127   -1.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0127   -1.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5616   -0.7606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5616   -2.2084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4636   -0.7607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.0261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3830   -0.7607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3830   -0.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    0.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4636   -0.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3405   -2.3220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2528   -0.7134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2774   -1.8223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6775    1.9385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1632    1.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8231    0.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8231    0.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3373    0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6775    1.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8990    2.3220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7914    1.4528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5850    0.5154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1269    1.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5055    1.6359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2426    1.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4594    1.2604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5346    2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9632   -0.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5571   -0.1397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5951   -0.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8427    0.0355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5571   -0.3770    0.0000 C   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
  3 18  1  0  0  0  0
 19  1  1  0  0  0  0
  2 20  1  0  0  0  0
 21 22  1  1  0  0  0
 22 23  1  1  0  0  0
 24 23  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 26 30  1  0  0  0  0
 19 24  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 29 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 15 38  1  0  0  0  0
 38 39  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  38  39
M  SBL   1  1  41
M  SMT   1 OCH3
M  SBV   1 41   -7.7486    5.1739
S  SKP  8
ID	FL3FEAGS0032
KNApSAcK_ID	C00004490
NAME	Scutellarein 4'-methyl ether 7-(2'',6''-diacetylalloside)
CAS_RN	-
FORMULA	C26H26O13
EXACTMASS	546.137340918
AVERAGEMASS	546.4768399999999
SMILES	C(C(OC(C)=O)1)(O)C(O)C(COC(C)=O)OC1Oc(c(O)4)cc(c2c(O)4)OC(c(c3)ccc(c3)OC)=CC2=O
M  END

</pre>