Mol:FLIFWYNS0001

From Metabolomics.JP
Jump to: navigation, search

FLIFWYNS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 30  0  0  0  0  0  0  0  0999 V2000 
   -2.2825    0.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2825    0.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7262   -0.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1699    0.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1699    0.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7262    1.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6136   -0.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0573    0.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0573    0.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6136    1.1251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4988   -0.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4988   -0.8463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0936   -1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6883   -0.8463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6883   -0.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0936    0.1839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6136   -0.8017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1206    0.8039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4990    1.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7262   -0.8017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4990    1.7737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6883   -0.8463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6883   -0.8463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6762   -1.3612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3907   -1.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6398    1.4227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1398    2.2887    0.0000 C   0  0  0  0  0  0  0  0  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 
  8 11  1  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 16  1  0  0  0  0 
 16 11  2  0  0  0  0 
  7 17  2  0  0  0  0 
 16 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19  9  1  0  0  0  0 
  1  2  1  0  0  0  0 
  3 20  1  0  0  0  0 
 19 21  2  0  0  0  0 
 14 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 13 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
  1 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  26  27 
M  SBL   3  1  29 
M  SMT   3  OCH3 
M  SVB   3 29   -2.6398    1.4227 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  24  25 
M  SBL   2  1  27 
M  SMT   2  OCH3 
M  SVB   2 27    0.6762   -1.3612 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  22  23 
M  SBL   1  1  25 
M  SMT   1  OCH3 
M  SVB   1 25    1.9253   -1.0525 
S  SKP  8 
ID	FLIFWYNS0001 
KNApSAcK_ID	C00009595 
NAME	Stemonone 
CAS_RN	41059-87-4 
FORMULA	C19H14O8 
EXACTMASS	370.068867424 
AVERAGEMASS	370.30966 
SMILES	c(c4OC)(OC)cc(c(c4)1)OC(C(O2)=C(C(c(c(O)3)c2cc(OC)c3)=O)1)=O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox