Mol:FLIAACNP0001

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

FLIAACNP0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 31 34  0  0  0  0  0  0  0  0999 V2000
   -1.1965    0.5671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1965   -0.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6960   -0.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1956   -0.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1956    0.5671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6960    0.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3049   -0.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8053   -0.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8053    0.5671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3049    0.8560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3049   -0.8769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3054   -0.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3054   -0.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7695   -1.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2337   -0.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2337   -0.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7695   -0.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6960   -0.8772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7695   -1.6383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6969   -1.1029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6960    1.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1965    1.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6969    1.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6969    0.8560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2328    1.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3403    1.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6966   -0.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6966   -0.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1968   -1.1658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6969   -0.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1968   -1.7433    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  5  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  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 17  1  0  0  0  0
 17 12  2  0  0  0  0
  3 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24  1  1  0  0  0  0
 23 25  1  1  0  0  0
 23 26  1  6  0  0  0
  2 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
S  SKP  8
ID	FLIAACNP0001
KNApSAcK_ID	C00002562
NAME	Pomiferin
CAS_RN	572-03-2
FORMULA	C25H24O6
EXACTMASS	420.1572885
AVERAGEMASS	420.45446
SMILES	c(c(O)4)(cc(cc4)C(=C1)C(c(c3O)c(c(c2c3CC=C(C)C)C=CC(O2)(C)C)O1)=O)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox