Mol:FL5FDCNP0002

From Metabolomics.JP
Jump to: navigation, search

FL5FDCNP0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
   -1.4107   -0.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4107   -0.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8544   -1.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2981   -0.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2981   -0.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8544    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2582   -1.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8145   -0.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8145   -0.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2582    0.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2582   -1.7853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3706    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9376   -0.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5046    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5046    0.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9376    0.9821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3706    0.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8544   -1.9266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9670    0.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5233   -0.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5233   -0.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9670   -1.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9368    0.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0714   -0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8544    0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4105    0.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4105    1.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9666    1.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8544    1.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9376    1.6366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0714    0.9821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6805   -1.4633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5465   -1.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  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 
  7 11  2  0  0  0  0 
  9 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 
  3 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22  2  1  0  0  0  0 
 20 23  1  0  0  0  0 
 20 24  1  0  0  0  0 
  6 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  2  0  0  0  0 
 27 28  1  0  0  0  0 
 27 29  1  0  0  0  0 
 16 30  1  0  0  0  0 
 15 31  1  0  0  0  0 
  8 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  32  33 
M  SBL   1  1  35 
M  SMT   1  OCH3 
M  SVB   1 35    1.0134   -1.1696 
S  SKP  8 
ID	FL5FDCNP0002 
KNApSAcK_ID	C00005086 
NAME	Broussoflavonol A;8-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-2,2-dimethyl-10-(3-methyl-2-butenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one 
CAS_RN	99217-69-3 
FORMULA	C26H26O7 
EXACTMASS	450.167853186 
AVERAGEMASS	450.48043999999993 
SMILES	C(C)(C)(C=1)Oc(c(CC=C(C)C)2)c(c(c(C(=O)4)c(OC(=C4OC)c(c3)ccc(c(O)3)O)2)O)C1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox