Mol:FL3FACCSS002

 
 
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  35  36 
M  SBL   1  1  38 
M  SMT   1 ^CH2OH 
M  SBV   1 38   -6.4322    7.1589 
S  SKP  8 
ID	FL3FACCSS002 
KNApSAcK_ID	C00006086 
NAME	Isoorientin 7-O-sulfate 
CAS_RN	- 
FORMULA	C21H20O14S 
EXACTMASS	528.057376038 
AVERAGEMASS	528.4411 
SMILES	C(C1O)(O)C(O)C(CO)OC1c(c(OS(O)(=O)=O)4)c(c(C(=O)3)c(c4)OC(=C3)c(c2)cc(c(O)c2)O)O 
M  END