Mol:FL2FAANP0006

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

FL2FAANP0006.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 35 38  0  0  0  0  0  0  0  0999 V2000
   -1.4130   -1.0785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8921   -1.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3713   -1.0785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3713   -0.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8921   -0.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4130   -0.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1496   -1.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6705   -1.0785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6705   -0.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1496   -0.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1909   -0.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1496   -1.9032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7252   -0.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2596   -0.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2596    0.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7252    0.7489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1909    0.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9339   -0.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8921   -1.9801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7940    0.7489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8921    0.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    1.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9329    1.6263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8921    1.6263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7252    1.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9334   -1.3790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4538   -1.0785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9730   -1.3783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4921   -1.0785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9730   -1.9778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7940    1.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2596    1.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1486    1.9801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4921    1.1789    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  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
  2 19  1  0  0  0  0
 20 15  1  0  0  0  0
  5 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 16 26  1  0  0  0  0
  1 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 20 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 26  2  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
S  SKP  8
ID	FL2FAANP0006
KNApSAcK_ID	C00008470
NAME	Euchrenone a4
CAS_RN	121795-45-7
FORMULA	C30H34O5
EXACTMASS	474.240624198
AVERAGEMASS	474.58796000000007
SMILES	C(=C(C)C)Cc(c(O)1)c(O)c(C2=O)c(OC(c(c4)cc(c(c4)3)C=CC(C)(C)O3)C2)c1CC=C(C)C
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox