Mol:FL5FECNS0016

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

FL5FECNS0016.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.9630   -0.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9630   -0.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4067   -1.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8504   -0.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8504   -0.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4067    0.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2941   -1.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2622   -0.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2622   -0.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2941    0.1107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2941   -1.6749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8183    0.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853   -0.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9523    0.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9523    0.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853    1.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8183    0.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5191   -1.1739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853    1.7471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5191    1.0925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3202    0.4082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8202    1.2742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1282   -1.3529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9942   -1.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8431   -1.3346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1286   -1.7471    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
  2 18  1  0  0  0  0
 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
  8 23  1  0  0  0  0
 23 24  1  0  0  0  0
  3 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  25  26
M  SBL   3  1  27
M  SMT   3  OCH3
M  SVB   3 27   -1.8431   -1.3346
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  23  24
M  SBL   2  1  25
M  SMT   2  OCH3
M  SVB   2 25    0.4611   -1.0591
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  23
M  SMT   1  OCH3
M  SVB   1 23   -2.3202    0.4082
S  SKP  8
ID	FL5FECNS0016
KNApSAcK_ID	C00004691
NAME	Quercetagetin 3,5,7-trimethyl ether
CAS_RN	82784-42-7
FORMULA	C18H16O8
EXACTMASS	360.08451748799996
AVERAGEMASS	360.31484
SMILES	c(c3OC)c(O1)c(c(c3O)OC)C(C(=C1c(c2)cc(O)c(O)c2)OC)=O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox