Mol:FL1C1LNI0006

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

FL1C1LNI0006.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 39 41  0  0  0  0  0  0  0  0999 V2000
    0.0039    0.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0039   -0.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7184   -0.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4329   -0.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4329    0.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7184    0.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1473   -0.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1473   -1.6576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8618   -0.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8618    0.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5763    0.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2907    0.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0052    0.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0052    1.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2907    2.0549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5763    1.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7197    2.0549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2907   -0.4201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7184   -1.6576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7106    0.8174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7106   -0.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7106   -1.6576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250   -2.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250   -2.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1395   -1.6576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8540   -2.0701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5684   -1.6576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2829   -2.0701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5684   -0.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2829   -0.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2836    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5632    0.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5632    1.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2803    2.0661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0010    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0010    0.8196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2803    2.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7197    2.0649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7197    2.8930    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
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  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
 14 17  1  0  0  0  0
 12 18  1  0  0  0  0
  3 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 31  1  0  0  0  0
 34 37  1  0  0  0  0
 35 38  1  0  0  0  0
 38 39  1  0  0  0  0
S  SKP  8
ID	FL1C1LNI0006
KNApSAcK_ID	C00014483
NAME	Gemichalcone C;3'-(4-Feruloyloxy-3-methylbutyl-2(Z)-enyl)-2,4,2',4'-tetrahydroxychalcone
CAS_RN	238750-50-0
FORMULA	C30H28O9
EXACTMASS	532.173332494
AVERAGEMASS	532.53792
SMILES	c(O)(c(CC=C(C)COC(C=Cc(c3)cc(OC)c(O)c3)=O)2)c(ccc(O)2)C(=O)C=Cc(c1O)ccc(c1)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox