Mol:FLID1ANP0003

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

FLID1ANP0003.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 29  0  0  0  0  0  0  0  0999 V2000
   -1.8805    0.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8805   -0.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3242   -0.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7679   -0.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7679    0.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3242    0.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2116   -0.6770    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3447   -0.3559    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3447    0.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2116    0.6077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9008   -0.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9008   -1.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4956   -1.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0904   -1.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0904   -0.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4956   -0.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2058   -1.3635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4368    0.6077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3242    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8805    1.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4368    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4368    1.9825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0424    1.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9564   -1.8637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8225   -2.3637    0.0000 C   0  0  0  0  0  0  0  0  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
  8 11  1  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 16  1  0  0  0  0
 16 11  2  0  0  0  0
  7 17  1  0  0  0  0
  1  2  1  0  0  0  0
 18  1  1  0  0  0  0
 12 17  1  0  0  0  0
  6 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
 14 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  24  25
M  SBL   1  1  28
M  SMT   1  OCH3
M  SVB   1 28    2.3279     -1.57
S  SKP  8
ID	FLID1ANP0003
KNApSAcK_ID	C00009643
NAME	Hemileiocarpin
CAS_RN	66446-92-2
FORMULA	C21H20O4
EXACTMASS	336.136159128
AVERAGEMASS	336.38109999999995
SMILES	C(C52)(COc(c54)c(c(cc4)3)C=CC(C)(C)O3)c(c1)c(O2)cc(OC)c1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox