Mol:FL5FECNS0025

From Metabolomics.JP
Revision as of 09:00, 7 October 2008 by Editor (Talk | contribs)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search

FL5FECNS0025.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.8838   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8838   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3275   -1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7712   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7712   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3275    0.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2149   -1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3414   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3414   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2149    0.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2149   -1.6357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8975    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4645   -0.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0315    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0315    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4645    1.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8975    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4399    0.1497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0315    0.8044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3275   -2.1349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3275   -3.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2074   -1.3137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0734   -1.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5983   -0.7222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5902   -0.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7479    1.7079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1893    2.6052    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
  1 18  1  0  0  0  0
 15 19  1  0  0  0  0
  3 20  1  0  0  0  0
 20 21  1  0  0  0  0
  8 22  1  0  0  0  0
 22 23  1  0  0  0  0
  2 24  1  0  0  0  0
 24 25  1  0  0  0  0
 16 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  26  27
M  SBL   4  1  28
M  SMT   4  OCH3
M  SVB   4 28    1.7479    1.7079
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  24  25
M  SBL   3  1  26
M  SMT   3  OCH3
M  SVB   3 26   -2.5983   -0.7222
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  22  23
M  SBL   2  1  24
M  SMT   2  OCH3
M  SVB   2 24    0.5403   -1.0199
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  22
M  SMT   1  OCH3
M  SVB   1 22   -1.7639   -1.2954
S  SKP  8
ID	FL5FECNS0025
KNApSAcK_ID	C00004701
NAME	Quercetagetin 3,5,6,3'-tetramethyl ether
CAS_RN	58130-92-0
FORMULA	C19H18O8
EXACTMASS	374.100167552
AVERAGEMASS	374.34142
SMILES	c(c1OC)(O)cc(O2)c(C(C(=C2c(c3)cc(OC)c(O)c3)OC)=O)c1OC
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox