Mol:FLIAADGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
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M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  30  31 
M  SBL   2  1  33 
M  SMT   2  CH2OH 
M  SVB   2 33   -3.4743    1.4283 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  32  33 
M  SBL   1  1  35 
M  SMT   1  OCH3 
M  SVB   1 35    3.4146    -0.155 
S  SKP  8 
ID	FLIAADGS0001 
KNApSAcK_ID	C00010123 
NAME	3'-O-Methylorobol 7-O-glucoside 
CAS_RN	36190-96-2 
FORMULA	C22H22O11 
EXACTMASS	462.116211546 
AVERAGEMASS	462.40348000000006 
SMILES	[C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c(c43)C(=O)C(=CO3)c(c2)cc(c(c2)O)OC)O)CO)O)O 
M  END