Mol:FL1CPTNS0001

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

FL1CPTNS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.8662   -0.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8662   -0.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3482   -1.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8302   -0.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8302   -0.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3482    0.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3122   -1.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2046   -0.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7497   -1.1256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2949   -0.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2949   -0.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7497    0.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2046   -0.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3842    0.0870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3482   -1.7060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3122   -1.6353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8400    0.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8400    0.7629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2949    1.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7497    0.7629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2949    1.7060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3842    1.0770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  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 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  8  2  0  0  0  0
  1 14  1  0  0  0  0
  3 15  1  0  0  0  0
  7 16  2  0  0  0  0
 11 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 12  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
S  SKP  8
ID	FL1CPTNS0001
KNApSAcK_ID	C00007179
NAME	Peltochalcone
CAS_RN	53766-30-6
FORMULA	C16H12O6
EXACTMASS	300.063388116
AVERAGEMASS	300.26288
SMILES	Oc(c3)cc(O)c(c3)C(=O)C(O2)=Cc(c1)c(C2)cc(O)c(O)1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox