Mol:FL3FABCS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  32 
M  SMT   1 CH2OH 
M  SBV   1 32   -7.3279    5.6057 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  31  32 
M  SBL   2  1  34 
M  SMT   2 OCH3 
M  SBV   2 34   -7.1772    5.6928 
S  SKP  8 
ID	FL3FABCS0002 
KNApSAcK_ID	C00006130 
NAME	Cytisoside;Trematin;8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one 
CAS_RN	2326-34-3 
FORMULA	C22H22O10 
EXACTMASS	446.121296924 
AVERAGEMASS	446.40408 
SMILES	c(c1)c(ccc(C(=C2)Oc(c(C(O4)C(O)C(C(C4CO)O)O)3)c(c(O)cc(O)3)C2=O)1)OC 
M  END