Mol:FL3F18NF0002

From Metabolomics.JP
Jump to: navigation, search

FL3F18NF0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 27  0  0  0  0  0  0  0  0999 V2000 
   -0.7652   -1.2372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7652   -0.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4796    0.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1941   -0.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1941   -1.2372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4796   -1.6497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0507   -1.6497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6638   -1.2372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6638   -0.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0507    0.0003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3783    0.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0927   -0.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8072    0.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8072    0.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0927    1.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3783    0.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0507   -2.4747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6512    0.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4716    0.8935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8072    0.1399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0927   -1.2358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0927    2.0628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8060    2.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3806   -1.6469    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 
  1  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  2  1  0  0  0  0 
  9 11  1  0  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 
  7 17  2  0  0  0  0 
  3 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 20  1  0  0  0  0 
 20  4  1  0  0  0  0 
 12 21  1  0  0  0  0 
 15 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 21 24  1  0  0  0  0 
S  SKP  8 
ID	FL3F18NF0002 
KNApSAcK_ID	C00013453 
NAME	Millettocalyxin C;2-(2,5-Dimethoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one 
CAS_RN	422308-57-4 
FORMULA	C19H14O5 
EXACTMASS	322.084123558 
AVERAGEMASS	322.31146 
SMILES	c(c(C(O4)=CC(c(c43)ccc(c32)occ2)=O)1)(OC)ccc(OC)c1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox