Mol:FL3FACDS0012

 
 
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  51  52 
M  SBL   1  1  56 
M  SMT   1 ^CH2OH 
M  SBV   1 56   -7.4988    4.6759 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  53  54 
M  SBL   2  1  58 
M  SMT   2 ^CH2OH 
M  SBV   2 58   -7.4988    4.6759 
S  SKP  8 
ID	FL3FACDS0012 
KNApSAcK_ID	C00006314 
NAME	Isoorientin 3',6''-di-O-glucoside 
CAS_RN	98568-81-1 
FORMULA	C33H40O21 
EXACTMASS	772.206208342 
AVERAGEMASS	772.6581 
SMILES	O(C(c(c6O)c(c(c(c6)5)C(=O)C=C(O5)c(c4)cc(c(c4)O)OC(O3)C(C(O)C(O)C(CO)3)O)O)1)C(COC(C2O)OC(C(C2O)O)CO)C(O)C(C(O)1)O 
M  END