Mol:FL2FECNF0001

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

FL2FECNF0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 26 30  0  0  0  0  0  0  0  0999 V2000
   -1.8175   -0.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8175   -0.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2612   -1.1392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7049   -0.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7049   -0.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2612    0.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1486   -1.1392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4077   -0.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4077   -0.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1486    0.1455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9638    0.1454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5308   -0.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0978    0.1454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0978    0.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5308    1.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9638    0.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1486   -1.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2612   -1.7813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5319    1.2343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2532    1.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6468    1.6853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3947    0.7739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0336    0.8410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2948    0.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5319   -0.7266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8175   -1.1391    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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 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
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
  6 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24  1  1  0  0  0  0
  2 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  25  26
M  SBL   1  1  29
M  SMT   1 ^OCH3
M  SBV   1 29   -8.2822    6.3302
S  SKP  8
ID	FL2FECNF0001
KNApSAcK_ID	C00008312
NAME	5-Hydroxy-6-methoxy-3',4'-methylenedioxyfurano[2'',3'':7,8]flavanone
CAS_RN	78017-93-3
FORMULA	C19H14O7
EXACTMASS	354.073952802
AVERAGEMASS	354.31026
SMILES	c(c51)(OCO5)ccc(C(O2)CC(c(c4O)c2c(c(c4OC)3)cco3)=O)c1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox