Mol:FL4DCCNS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
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    0.1591   -0.1695    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
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    0.6795    0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3618   -1.5956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.2817    0.4493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  6  1  1  0  0  0  0 
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  6 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  22  23 
M  SBL   1  1  24 
M  SMT   1  OCH3 
M  SVB   1 24   -2.2817    0.4493 
S  SKP  8 
ID	FL4DCCNS0002 
KNApSAcK_ID	C00008578 
NAME	Epipadmatin;(2R,3S)-3,5,3',4'-Tetrahydroxy-7-methoxyflavanone 
CAS_RN	140694-62-8 
FORMULA	C16H14O7 
EXACTMASS	318.073952802 
AVERAGEMASS	318.27816 
SMILES	COc(c3)cc(O1)c(c(O)3)C(=O)[C@@H](O)[C@H]1c(c2)cc(O)c(O)c2 
M  END