Mol:FL63GCNS0001

From Metabolomics.JP
Jump to: navigation, search

FL63GCNS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
   -0.9916   -1.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9916   -0.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7061    0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4206   -0.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4206   -1.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7061   -1.4983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2772   -1.4983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4373   -1.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4373   -0.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2772    0.1517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1518    0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8242   -0.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4966    0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4966    0.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8242    1.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1518    0.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1351    0.1517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8242    2.1414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2289   -1.5428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7061   -2.1414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1351    1.2968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7061    0.7798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9769   -1.4070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  1  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 
  1  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  2  1  0  0  0  0 
  9 11  1  6  0  0  0 
 11 12  2  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 11  1  0  0  0  0 
  4 17  1  0  0  0  0 
 18 15  1  0  0  0  0 
  8 19  1  1  0  0  0 
  6 20  1  0  0  0  0 
 14 21  1  0  0  0  0 
  3 22  1  0  0  0  0 
  5 23  1  0  0  0  0 
S  SKP  8 
ID	FL63GCNS0001 
KNApSAcK_ID	C00013250 
NAME	Elephantorrhizol;(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,6,7,8-pentol 
CAS_RN	848154-70-1 
FORMULA	C15H14O8 
EXACTMASS	322.068867424 
AVERAGEMASS	322.26686 
SMILES	Oc(c3)c(O)cc(c3)C(C(O)2)Oc(c(O)1)c(C2)c(O)c(O)c(O)1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox