Mol:FL2FA9NI0020

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

FL2FA9NI0020.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.5761   -0.9227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0552   -1.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5344   -0.9227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5344   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0552   -0.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5761   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0135   -1.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5074   -0.9227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5074   -0.3212    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0135   -0.0205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0278   -0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0135   -1.7473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5621   -0.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0965   -0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0965    0.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5621    0.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0278    0.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0552   -1.8243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0552    0.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5761    0.9230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5761    1.5238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0965    1.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0558    1.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9334    0.2975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4335    1.1635    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
  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  6  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
  2 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 22  2  0  0  0  0
 21 23  1  0  0  0  0
  6 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   -1.9334    0.2975
S  SKP  8
ID	FL2FA9NI0020
KNApSAcK_ID	C00008528
NAME	Tephroleocarpin B
CAS_RN	138590-94-0
FORMULA	C21H20O4
EXACTMASS	336.136159128
AVERAGEMASS	336.38109999999995
SMILES	COc(c3)c(C=CC(C)=C)c(c(c(O)3)2)O[C@@H](CC(=O)2)c(c1)cccc1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox