Mol:Test.mol

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Test.mol.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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   -0.5634    0.9592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1511    0.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  20  21 
M  SBL   1  1  21 
M  SMT   1 OCH3 
M  SBV   1 21   -4.4150    2.9392 
S  SKP  8 
ID	FL1CBANS0001 
KNApSAcK_ID	C00006954 
NAME	Helichrysetin;4,2',4'-Trihydroxy-6'-methoxychalcone 
CAS_RN	62014-87-3 
FORMULA	C16H14O5 
EXACTMASS	286.084123558 
AVERAGEMASS	286.27936 
SMILES	COc(c1)c(C(=O)C=Cc(c2)ccc(O)c2)c(O)cc(O)1 
M  END
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