Mol:FL3FAANI0007

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -2.1416   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1416    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8561    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5706    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5706   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8561   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4272   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7127   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7127    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4272    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0018    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7163    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4307    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4307    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7163    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0018    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4272   -1.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1452    1.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2850    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8561   -1.8549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1452    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8585    0.6181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5718    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2850    0.6181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5718   -0.6174    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 
 18 14  1  0  0  0  0 
  4 19  1  0  0  0  0 
  6 20  1  0  0  0  0 
 13 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 24  1  0  0  0  0 
 23 25  1  0  0  0  0 
S  SKP  8 
ID	FL3FAANI0007 
KNApSAcK_ID	C00013407 
NAME	Yinyanghuo D;5,7-Dihydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-one 
CAS_RN	174286-25-0 
FORMULA	C20H18O5 
EXACTMASS	338.115423686 
AVERAGEMASS	338.35392 
SMILES	c(c1)(C(=C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)cc(c(O)c1)CC=C(C)C 
M  END