Mol:FLII1LNI0001

From Metabolomics.JP
(Difference between revisions)
Jump to: navigation, search

Revision as of 09:00, 7 October 2008

FLII1LNI0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.5527    0.4664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5527   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9964   -0.4972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4401   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4401    0.4664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9964    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8838   -0.4972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3275   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2286   -0.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8820   -1.1630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1088    0.7874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2286   -1.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8054   -1.4960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3821   -1.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3821   -0.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8054   -0.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9585   -1.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9964   -1.1393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3821   -0.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9585    0.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5336    0.8319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5336    1.4960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1088    0.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0936    0.4148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5393    1.3100    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  2  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
  1 11  1  0  0  0  0
  9 12  2  0  0  0  0
 12 10  1  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  9  1  0  0  0  0
 14 17  1  0  0  0  0
  3 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 16 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  26
M  SMT   1  OCH3
M  SVB   1 26    1.0936    0.4148
S  SKP  8
ID	FLII1LNI0001
KNApSAcK_ID	C00010076
NAME	Licocoumarone
CAS_RN	118524-14-4
FORMULA	C20H20O5
EXACTMASS	340.13107375
AVERAGEMASS	340.3698
SMILES	C(c(c3OC)c(O)cc(c31)oc(c(c2)c(O)cc(O)c2)c1)C=C(C)C
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox