Mol:FL7AAAGL0012

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  52  53 
M  SBL   3  1  57 
M  SMT   3  CH2OH 
M  SVB   3 57    4.2829    0.2092 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  50  51 
M  SBL   2  1  55 
M  SMT   2  CH2OH 
M  SVB   2 55   -3.1281    0.1461 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  36  49 
M  SBL   1  1  39 
M  SMT   1  CH2OH 
M  SVB   1 39    1.0058   -2.0735 
S  SKP  8 
ID	FL7AAAGL0012 
KNApSAcK_ID	C00006647 
NAME	Rubrobrassicin;Pelargonidin-3-sophoroside-5-glucoside 
CAS_RN	75093-88-8 
FORMULA	C33H41O20 
EXACTMASS	757.219118752 
AVERAGEMASS	757.6666399999999 
SMILES	O(c(c24)cc(cc([o+1]c(c(O[C@@H](C(O[C@@H](O6)[C@H](O)[C@H](O)[C@@H](C6CO)O)5)O[C@@H]([C@H](O)C(O)5)CO)c4)c(c3)ccc(c3)O)2)O)[C@H](O1)[C@H]([C@H]([C@@H](O)C(CO)1)O)O 
M  END