Mol:FL1CA9NM0003

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

FL1CA9NM0003.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.9517    0.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9517   -0.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3953   -0.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8390   -0.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8390    0.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3953    0.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2827   -0.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2736   -0.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8297   -0.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3857   -0.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9467   -0.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5077   -0.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5077    0.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9467    0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3857    0.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2827   -1.1782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3953    1.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5077    0.6077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2830    0.6077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8318   -0.8374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1173   -1.2499    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  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  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 10  1  0  0  0  0
  7 16  2  0  0  0  0
  6 17  1  0  0  0  0
  1 18  1  0  0  0  0
  5 19  1  0  0  0  0
  3 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  21
M  SMT   1 OCH3
M  SBV   1 21   -6.0139    3.4055
S  SKP  8
ID	FL1CA9NM0003
KNApSAcK_ID	C00007042
NAME	Stercurensin
CAS_RN	94388-75-7
FORMULA	C17H16O4
EXACTMASS	284.104859
AVERAGEMASS	284.30654
SMILES	COc(c1)c(C(=O)C=Cc(c2)cccc2)c(O)c(C)c(O)1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox