Mol:FL3FAAGS0066

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 42 46  0  0  0  0  0  0  0  0999 V2000 
    1.2186   -0.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2186   -1.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9330   -1.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6475   -1.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6475   -0.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9330    0.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3620   -1.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0765   -1.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0765   -0.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3620    0.1679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7909    0.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5054   -0.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.2199    0.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.2199    0.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5054    1.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7909    0.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3620   -2.3071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9330   -2.3071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.9662    1.4237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4990    0.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1460    0.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7334   -0.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9350   -0.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1416   -0.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5541    0.2112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3525    0.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5208    0.6303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4937    0.5765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5987   -0.2539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7653   -0.9100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0206    0.8801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4326    1.5936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0206    2.3071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2564    1.5936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6684    0.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4923    0.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.9048    1.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.7298    1.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.1423    0.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.7298    0.1656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.9048    0.1656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.9662    0.8801    0.0000 O   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 
  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 
  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 
 14 19  1  0  0  0  0 
 20  1  1  0  0  0  0 
 21 22  1  1  0  0  0 
 22 23  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 21  1  0  0  0  0 
 26 27  1  0  0  0  0 
 21 28  1  0  0  0  0 
 22 29  1  0  0  0  0 
 23 30  1  0  0  0  0 
 24 20  1  0  0  0  0 
 31 32  1  0  0  0  0 
 32 33  2  0  0  0  0 
 32 34  1  0  0  0  0 
 34 35  2  0  0  0  0 
 35 36  1  0  0  0  0 
 36 37  2  0  0  0  0 
 37 38  1  0  0  0  0 
 38 39  2  0  0  0  0 
 39 40  1  0  0  0  0 
 40 41  2  0  0  0  0 
 41 36  1  0  0  0  0 
 39 42  1  0  0  0  0 
 31 27  1  0  0  0  0 
S  SKP  8 
ID	FL3FAAGS0066 
KNApSAcK_ID	C00013616 
NAME	Apigenin 7-(6''-E-p-coumaroylgalactoside);5-Hydroxy-2-(4-hydroxyphenyl)-7-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-galactopyranosyl]oxy]-4H-1-benzopyran-4-one 
CAS_RN	480453-57-4 
FORMULA	C30H26O12 
EXACTMASS	578.1424262959999 
AVERAGEMASS	578.5202400000001 
SMILES	c(O)(c5)ccc(c5)C(O4)=CC(c(c34)c(cc(c3)OC(O1)C(C(O)C(C1COC(C=Cc(c2)ccc(O)c2)=O)O)O)O)=O 
M  END