Mol:FL3FACCS0057

From Metabolomics.JP
Jump to: navigation, search

FL3FACCS0057.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 35 38  0  0  0  0  0  0  0  0999 V2000 
    1.6838    0.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9693    0.5662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2549    0.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2549   -0.6713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9693   -1.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6838   -0.6713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4596    0.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1741    0.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1741   -0.6713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4596   -1.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9693   -1.6559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4852    0.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1997    0.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9141    0.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9141    1.4413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1997    1.8538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4852    1.4413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5976    1.8359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4596   -1.8538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8645    0.5523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5757    0.2344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0273   -0.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6147   -1.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8164   -0.8134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0229   -1.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4355   -0.3255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2339   -0.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3908    0.0512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5106   -0.7911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0634   -0.7635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0347   -1.5613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0863    0.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0905    1.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5976    1.3268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5847    1.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  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  1  0  0  0  0 
  6  1  2  0  0  0  0 
  3  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10  4  1  0  0  0  0 
  5 11  2  0  0  0  0 
  1 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 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
 15 18  1  0  0  0  0 
 10 19  1  0  0  0  0 
  8 20  1  0  0  0  0 
 14 21  1  0  0  0  0 
 22 23  1  1  0  0  0 
 23 24  1  1  0  0  0 
 25 24  1  1  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 22  1  0  0  0  0 
 27 28  1  0  0  0  0 
 22 29  1  0  0  0  0 
 23 30  1  0  0  0  0 
 25  9  1  0  0  0  0 
 31 24  1  0  0  0  0 
 32 33  1  0  0  0  0 
 32 28  1  0  0  0  0 
 33 34  2  0  0  0  0 
 33 35  1  0  0  0  0 
S  SKP  8 
ID	FL3FACCS0057 
KNApSAcK_ID	C00014099 
NAME	Isoorientin 6''-O-acetate 
CAS_RN	- 
FORMULA	C23H22O12 
EXACTMASS	490.111126168 
AVERAGEMASS	490.41358 
SMILES	C(C(=O)3)=C(c(c4)ccc(c4O)O)Oc(c31)cc(c(C(C(O)2)OC(COC(C)=O)C(C(O)2)O)c(O)1)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox