Mol:FL1DDANS0001

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

FL1DDANS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 23  0  0  0  0  0  0  0  0999 V2000
   -2.1793    0.3305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1793   -0.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4648   -0.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7504   -0.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7504    0.3305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4648    0.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0096   -0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7080   -0.5301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0096   -1.6023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7080    0.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4240    0.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1385    0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8530    0.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8530    1.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1385    1.9490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4240    1.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1591    0.6718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8533    0.7196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4985    0.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4648   -1.5857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0941   -1.9490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4985    1.9092    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
  7  9  2  0  0  0  0
  8 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 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
  5 17  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
  3 20  1  0  0  0  0
 20 21  1  0  0  0  0
 14 22  1  0  0  0  0
S  SKP  8
ID	FL1DDANS0001
KNApSAcK_ID	C00014600
NAME	Dihydroflavokawain C;4,2'-Dihydroxy-4',6'-dimethoxydihydrochalcone
CAS_RN	42546-55-4
FORMULA	C17H18O5
EXACTMASS	302.115423686
AVERAGEMASS	302.32182
SMILES	COc(c1)cc(OC)c(C(=O)CCc(c2)ccc(O)c2)c(O)1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox