Mol:FLIDACNP0001

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

FLIDACNP0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 27 32  0  0  0  0  0  0  0  0999 V2000
   -1.7267    0.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7267    0.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1704   -0.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6141    0.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6141    0.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1704    1.0497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0578   -0.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4985    0.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4985    0.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0578    1.0497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0546   -0.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0546   -0.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6494   -1.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2442   -0.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2442   -0.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6494    0.1085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0519   -0.9215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8974   -1.1339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3011   -0.5783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8974   -0.0227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2830    1.0497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8393    0.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8393    0.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2830   -0.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8393    1.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3011    0.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1704   -0.8772    0.0000 O   0  0  0  0  0  0  0  0  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  1  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  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 11  2  0  0  0  0
  7 17  1  0  0  0  0
  1  2  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24  2  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
  3 27  1  0  0  0  0
S  SKP  8
ID	FLIDACNP0001
KNApSAcK_ID	C00009656
NAME	Neorautenanol
CAS_RN	76175-39-8
FORMULA	C21H18O6
EXACTMASS	366.110338308
AVERAGEMASS	366.36402
SMILES	O(c12)COc1cc(C36)c(OC3c(c4O)c(OC6)cc(O5)c(C=CC(C)(C)5)4)c2
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox