Mol:FL1DA9NM0007

Revision as of 09:00, 7 October 2008

<pre>

Copyright: ARM project http://www.metabolome.jp/
 21 22  0  0  0  0  0  0  0  0999 V2000
    2.3913   -0.5896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0579   -0.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0579    0.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3913    0.9498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7247    0.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7247   -0.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0166   -0.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2672   -0.1810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4568   -0.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1438   -0.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1438    0.5819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8230    0.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5022    0.5819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5022   -0.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8230   -0.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4568   -1.2007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5452    0.9275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0579   -0.5232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8230   -1.1836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8594    1.2007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1449    0.7882    0.0000 C   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
  6  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  2  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 10  1  0  0  0  0
  9 16  2  0  0  0  0
 11 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  21
M  SMT   1 ^OCH3
M  SBV   1 21   -8.7982    5.6557
S  SKP  8
ID	FL1DA9NM0007
KNApSAcK_ID	C00008118
NAME	2',6'-Dihydroxy-4'-methoxy-3'-methyldihydrochalcone
CAS_RN	83247-38-5
FORMULA	C17H18O4
EXACTMASS	286.120509064
AVERAGEMASS	286.32241999999997
SMILES	COc(c1)c(C)c(O)c(C(=O)CCc(c2)cccc2)c(O)1
M  END

</pre>