Mol:FL3FBCNS0001

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

FL3FBCNS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  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    0.1106    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
    1.3853    1.7471    0.0000 O   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
  1 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
  3 21  1  0  0  0  0
 21 22  1  0  0  0  0
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  SBV   1 23   -4.8497    2.3102
S  SKP  8
ID	FL3FBCNS0001
KNApSAcK_ID	C00003864
NAME	Luteolin 5-methyl ether
CAS_RN	58115-29-0
FORMULA	C16H12O6
EXACTMASS	300.063388116
AVERAGEMASS	300.26288
SMILES	COc(c3)c(C(=O)2)c(cc(O)3)OC(=C2)c(c1)cc(O)c(O)c1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox