Mol:FL4DRNNP0002

From Metabolomics.JP
Jump to: navigation, search

FL4DRNNP0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 37 41  0  0  0  0  0  0  0  0999 V2000 
   -1.7778   -0.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2569   -1.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7360   -0.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7360   -0.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2569    0.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7778   -0.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2151   -1.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3057   -0.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3057   -0.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2151    0.0255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2151   -1.7014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8261   -1.1772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2569   -1.7783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2982    0.0252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2313   -0.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8778   -0.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8295   -0.5131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0741    0.0363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7206    0.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1224    0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6717    0.0991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3057   -1.6817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1826   -0.9993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6937   -0.9993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9488   -1.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4589   -1.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6937   -1.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3057    0.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3170    0.8041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3170    1.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9398    1.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3057    1.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8196   -0.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8196   -0.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2987   -1.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3848    0.0511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4589   -0.4466    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 
  7 11  2  0  0  0  0 
  8 12  1  0  0  0  0 
  2 13  1  0  0  0  0 
  6 14  1  0  0  0  0 
 12 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16  9  1  0  0  0  0 
 15 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20 16  1  0  0  0  0 
 18 21  1  0  0  0  0 
  8 22  1  0  0  0  0 
 17 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  2  0  0  0  0 
 25 26  1  0  0  0  0 
 25 27  1  0  0  0  0 
  9 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
 29 30  2  0  0  0  0 
 30 31  1  0  0  0  0 
 30 32  1  0  0  0  0 
 14 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
 34 35  2  0  0  0  0 
 35  1  1  0  0  0  0 
 33 36  1  0  0  0  0 
 33 37  1  0  0  0  0 
S  SKP  8 
ID	FL4DRNNP0002 
KNApSAcK_ID	C00008630 
NAME	Sorocein D 
CAS_RN	157382-81-5 
FORMULA	C30H32O7 
EXACTMASS	504.214803378 
AVERAGEMASS	504.57088 
SMILES	C(=CCc(c15)c(ccc(C(C(O5)4O)(CC=C(C)C)Oc(c3C4=O)cc(O2)c(c(O)3)C=CC2(C)C)1)O)(C)C 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox