Mol:FLIAAACS0001

 
 
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   -2.3782   -1.4096 
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    1.1982     2.316 
S  SKP  8 
ID	FLIAAACS0001 
KNApSAcK_ID	C00002557 
NAME	Paniculatin 
CAS_RN	32361-88-9 
FORMULA	C27H30O15 
EXACTMASS	594.15847029 
AVERAGEMASS	594.5181 
SMILES	C(c24)(C(=COc2c(c(c([C@H](O5)[C@@H](O)[C@H]([C@H](C(CO)5)O)O)c4O)O)[C@@H](O3)[C@@H]([C@H](O)[C@@H](C3CO)O)O)c(c1)ccc(c1)O)=O 
M  END