Mol:FL7AACGL0003

 
 
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  49  50 
M  SBL   1  1  54 
M  SMT   1 ^CH2OH 
M  SBV   1 54   -5.9790    3.9163 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  51  52 
M  SBL   2  1  56 
M  SMT   2 CH2OH 
M  SBV   2 56   -5.4482    3.6332 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  53  54 
M  SBL   3  1  58 
M  SMT   3 ^CH2OH 
M  SBV   3 58   -5.9790    3.9163 
S  SKP  8 
ID	FL7AACGL0003 
KNApSAcK_ID	C00002377 
NAME	Cyanidin 3,5,3'-triglucoside 
CAS_RN	88110-66-1 
FORMULA	C33H41O21 
EXACTMASS	773.214033374 
AVERAGEMASS	773.66604 
SMILES	OC(C(O)1)C(OC(Oc(c4)c([o+1]c(c6)c4c(cc6O)OC(C(O)5)OC(CO)C(O)C5O)c(c2)ccc(c2OC(C(O)3)OC(CO)C(O)C(O)3)O)C1O)CO 
M  END