Mol:FL7AAAGL0004

 
 
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    2.8847    0.7538 
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    -1.029   -2.4755 
S  SKP  8 
ID	FL7AAAGL0004 
KNApSAcK_ID	C00006636 
NAME	Pelargonidin 3-sophoroside 
CAS_RN	34365-81-6 
FORMULA	C27H31O15 
EXACTMASS	595.166295322 
AVERAGEMASS	595.52604 
SMILES	c(O)(c1)ccc(c([o+1]3)c(O[C@H](O4)C(O[C@H]([C@@H]5O)OC([C@H]([C@H]5O)O)CO)C([C@H]([C@H]4CO)O)O)cc(c32)c(cc(O)c2)O)c1 
M  END