Mol:FL4DA9GS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  41  42 
M  SBL   2  1  45 
M  SMT   2  CH2OH 
M  SVB   2 45   -3.3788    -1.046 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  39  40 
M  SBL   1  1  43 
M  SMT   1  CH2OH 
M  SVB   1 43   -1.2462    -0.454 
S  SKP  8 
ID	FL4DA9GS0001 
KNApSAcK_ID	C00008666 
NAME	Pinobanksin 5-galactosyl-(1->4)-glucoside 
CAS_RN	91925-95-0 
FORMULA	C27H32O15 
EXACTMASS	596.174120354 
AVERAGEMASS	596.5339799999999 
SMILES	[C@@H]([C@@H]1O[C@@H](C5CO)[C@@H]([C@H](O)[C@@H](O5)Oc(c4)c(C3=O)c(cc4O)O[C@@H]([C@@H](O)3)c(c2)cccc2)O)(O)[C@@H](O)[C@@H](O)C(O1)CO 
M  END