Mol:FL2FQUNM0003

From Metabolomics.JP
Revision as of 09:00, 14 March 2009 by Editor (Talk | contribs)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search

FL2FQUNM0003.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
   -1.8384   -0.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3175   -0.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7966   -0.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7966    0.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3175    0.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8384    0.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2757   -0.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2452   -0.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2452    0.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2757    0.4008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7656    0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2757   -1.3260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2999    0.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8343    0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8343    1.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2999    1.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7656    1.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3175   -1.2665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3587    0.4005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3587   -0.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3175    1.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3587    1.3203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7656   -0.4623    0.0000 O   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  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  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 
  6 19  1  0  0  0  0 
  1 20  1  0  0  0  0 
  5 21  1  0  0  0  0 
 15 22  2  0  0  0  0 
 11 23  1  0  0  0  0 
S  SKP  8 
ID	FL2FQUNM0003 
KNApSAcK_ID	C00008422 
NAME	Protofarrerol 
CAS_RN	24211-29-8 
FORMULA	C17H18O6 
EXACTMASS	318.110338308 
AVERAGEMASS	318.32122 
SMILES	O=C(C3)C=CC(O)(C3)C(C2)Oc(c(C)1)c(C(=O)2)c(O)c(C)c(O)1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox