Mol:FL4D19NP0001

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

FL4D19NP0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 27  0  0  0  0  0  0  0  0999 V2000
   -1.3078   -0.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7869   -0.8477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2660   -0.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2660    0.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7869    0.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3078    0.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2548   -0.8477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7757   -0.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7757    0.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2548    0.3553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2961    0.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2548   -1.3716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8305    0.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3648    0.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3648    0.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8305    1.2805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2961    0.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8282    0.3550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7869    0.9567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3078    1.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8282    0.9567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2430    1.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3648    0.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2775   -0.8366    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
  3  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  4  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
  6 18  1  0  0  0  0
  5 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 18  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
  8 24  1  0  0  0  0
S  SKP  8
ID	FL4D19NP0001
KNApSAcK_ID	C00008606
NAME	3-Hydroxyisolonchocarpin
CAS_RN	70215-98-4
FORMULA	C20H18O4
EXACTMASS	322.120509064
AVERAGEMASS	322.35452
SMILES	c(O3)(c(C(C(C3c(c4)cccc4)O)=O)2)c(c(cc2)1)C=CC(C)(C)O1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox