Mol:FL5FAAGL0063

From Metabolomics.JP
Jump to: navigation, search

FL5FAAGL0063.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 42 45  0  0  0  0  0  0  0  0999 V2000 
   -4.3874    1.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3874    0.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8311    0.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2748    0.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2748    1.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8311    1.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7185    0.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1622    0.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1622    1.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7185    1.3421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7185   -0.4435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6061    1.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0391    1.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4722    1.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4722    1.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0391    2.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6061    1.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5141   -0.1717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4687    0.3197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8563   -0.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1109   -0.1387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6391   -0.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0268    0.3197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2813    0.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1958    0.1248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5502    0.5723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5131    0.1894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0946    2.3239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8311   -0.5848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.9983    1.2194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2681   -0.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6136   -0.9503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6136   -1.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1133   -1.9698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2459   -2.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8771   -1.6817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8771   -1.0003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0492   -2.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5849   -2.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2922   -1.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9983   -2.0896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2922   -0.8666    0.0000 O   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 
 19 20  1  0  0  0  0 
 20 21  1  1  0  0  0 
 23 22  1  1  0  0  0 
 23 24  1  0  0  0  0 
 24 19  1  0  0  0  0 
 19 25  1  0  0  0  0 
 24 26  1  0  0  0  0 
 23 27  1  0  0  0  0 
 20 18  1  0  0  0  0 
 18  8  1  0  0  0  0 
 22 21  1  1  0  0  0 
 15 28  1  0  0  0  0 
  3 29  1  0  0  0  0 
  1 30  1  0  0  0  0 
 22 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
 33 34  2  0  0  0  0 
 33 35  1  0  0  0  0 
 35 36  1  0  0  0  0 
 36 37  1  0  0  0  0 
 36 38  1  0  0  0  0 
 36 39  1  0  0  0  0 
 39 40  1  0  0  0  0 
 40 41  1  0  0  0  0 
 40 42  2  0  0  0  0 
S  SKP  8 
ID	FL5FAAGL0063 
KNApSAcK_ID	C00005845 
NAME	Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside];3-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one 
CAS_RN	157407-84-6 
FORMULA	C27H28O15 
EXACTMASS	592.1428202259999 
AVERAGEMASS	592.5022200000001 
SMILES	OC(C1O)C(O)C(OC(C(=O)2)=C(c(c4)ccc(c4)O)Oc(c3)c2c(O)cc(O)3)OC1COC(=O)CC(CC(O)=O)(C)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox