Mol:FL5FFANI0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 31  0  0  0  0  0  0  0  0999 V2000 
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   -1.1318   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.5755    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5371   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0934   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0934    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5371    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5371   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6495    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.2975    1.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1390    1.9452    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 
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  6 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  28  29 
M  SBL   2  1  30 
M  SMT   2  OCH3 
M  SVB   2 30   -0.2975    1.0455 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  26  27 
M  SBL   1  1  28 
M  SMT   1  OCH3 
M  SVB   1 28    1.3037   -0.6761 
S  SKP  8 
ID	FL5FFANI0004 
KNApSAcK_ID	C00005011 
NAME	5,7,4'-Trihydroxy-3,8-dimethoxy-6-prenylflavone;6-Prenylherbacetin 3,8-dimethyl ether;5,7-Dihydroxy-2-(4-hydroxyphenyl)-3,8-dimethoxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one 
CAS_RN	156298-97-4 
FORMULA	C22H22O7 
EXACTMASS	398.136553058 
AVERAGEMASS	398.40588 
SMILES	c(c3)(ccc(c3)C(O2)=C(OC)C(=O)c(c21)c(O)c(c(O)c(OC)1)CC=C(C)C)O 
M  END