Mol:FL5F9ANI0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 30  0  0  0  0  0  0  0  0999 V2000 
   -2.0292   -0.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0292   -1.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4729   -1.6286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9166   -1.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9166   -0.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4729   -0.3439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3603   -1.6286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1960   -1.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1960   -0.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3603   -0.3439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3603   -2.1295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7521   -0.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3190   -0.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8860   -0.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8860    0.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3190    0.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7521    0.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4729   -2.2707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4528    0.6379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5853   -0.6993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1853    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1853    1.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3804    1.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3804    2.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9460    1.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5853   -1.6285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0620   -1.8074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9281   -2.3073    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 
 15 19  1  0  0  0  0 
 20 14  1  0  0  0  0 
 17 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 
  2 26  1  0  0  0  0 
  8 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  27  28 
M  SBL   1  1  29 
M  SMT   1  OCH3 
M  SVB   1 29    0.4063   -1.4924 
S  SKP  8 
ID	FL5F9ANI0001 
KNApSAcK_ID	C00005030 
NAME	Uralene;2-[4,5-Dihydroxy-2-(3-methyl-2-butenyl)phenyl]-5,6-dihydroxy-3-methoxy-4H-1-benzopyran-4-one 
CAS_RN	150853-99-9 
FORMULA	C21H20O7 
EXACTMASS	384.120902994 
AVERAGEMASS	384.37929999999994 
SMILES	c(c1)c(c(O)c(C3=O)c(OC(=C3OC)c(c2CC=C(C)C)cc(O)c(O)c2)1)O 
M  END