Mol:FL1CHYNM0001

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

FL1CHYNM0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 25  0  0  0  0  0  0  0  0999 V2000
   -1.9517    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9517   -0.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3954   -0.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8390   -0.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8390    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3954    0.4243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2827   -0.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2736   -0.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8297   -0.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3857   -0.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9467   -0.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5077   -0.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5077    0.1085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9467    0.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3857    0.1085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2827   -1.3618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3954   -1.5026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8297   -1.5011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3954    1.0664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2830    0.4241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5077   -0.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8316    1.5026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3089    0.7218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8089    1.5878    0.0000 C   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 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
  7 16  2  0  0  0  0
  3 17  1  0  0  0  0
  9 18  1  0  0  0  0
  6 19  1  0  0  0  0
  5 20  1  0  0  0  0
  2 21  1  0  0  0  0
 19 22  2  0  0  0  0
 23 24  1  0  0  0  0
  1 23  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  23  24
M  SBL   1  1  25
M  SMT   1  OCH3
M  SVB   1 25   -2.3089    0.7218
S  SKP  8
ID	FL1CHYNM0001
KNApSAcK_ID	C00006999
NAME	3'-Formyl-2',6',beta-trihydroxy-4'-methoxy-5'-methylchalcone
CAS_RN	59677-77-9
FORMULA	C18H16O6
EXACTMASS	328.094688244
AVERAGEMASS	328.31604
SMILES	C(c(c2O)c(c(c(c2C)OC)C=O)O)(=O)C=C(O)c(c1)cccc1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox