Mol:FLIAACNP0003

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

FLIAACNP0003.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 31 34  0  0  0  0  0  0  0  0999 V2000
   -2.5615    0.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5615    0.3366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0052    0.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4489    0.3366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4489    0.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0052    1.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8926    0.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3363    0.3366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3363    0.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8926    1.3001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2198    0.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2198   -0.6713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8146   -1.0147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4094   -0.6713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4094    0.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8146    0.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8926   -0.6267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0052   -0.6267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0036   -1.0143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1178    1.3001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1176    0.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6741    0.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6741    0.3366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6741    1.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3768    0.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5978   -0.6713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1920   -1.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7850   -0.6720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3768   -1.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7850    0.0114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8146   -1.7008    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
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
 14 19  1  0  0  0  0
 20  1  1  0  0  0  0
  2 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 21  2  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 19 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 13 31  1  0  0  0  0
S  SKP  8
ID	FLIAACNP0003
KNApSAcK_ID	C00009520
NAME	Isoauriculasin
CAS_RN	60297-38-3
FORMULA	C25H24O6
EXACTMASS	420.1572885
AVERAGEMASS	420.45446
SMILES	c(c12)c(O4)c(C=CC4(C)C)c(c(C(C(c(c3)cc(O)c(OCC=C(C)C)c3)=CO2)=O)1)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox