Mol:FL3FCAGS0003

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FL3FCAGS0003.png

 
 
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M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  37  38 
M  SBL   2  1  40 
M  SMT   2  OCH3 
M  SVB   2 40    0.0352    1.3302 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  3  33  34  35 
M  SBL   1  1  36 
M  SMT   1  COOH 
M  SVB   1 36    -3.546    0.0706 
S  SKP  8 
ID	FL3FCAGS0003 
KNApSAcK_ID	C00004200 
NAME	Apigenin 7-methyl ether 5-(6''-malonylglucoside) 
CAS_RN	130733-29-8 
FORMULA	C25H24O13 
EXACTMASS	532.121690854 
AVERAGEMASS	532.45026 
SMILES	O=C(CC(O)=O)OCC([C@H](O)4)O[C@H]([C@H]([C@@H](O)4)O)Oc(c12)cc(cc1OC(c(c3)ccc(c3)O)=CC2=O)OC 
M  END
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