Mol:FL7AAIGA0001

 
 
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  32  33 
M  SBL   3  1  35 
M  SMT   3  CH2OH 
M  SVB   3 35     2.538   -1.7087 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  34  35 
M  SBL   2  1  37 
M  SMT   2  OCH3 
M  SVB   2 37    1.3461    0.1578 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  33 
M  SMT   1  OCH3 
M  SVB   1 33    0.8529    1.9222 
S  SKP  8 
ID	FL7AAIGA0001 
KNApSAcK_ID	C00006734 
NAME	Primulin;Malvidin 3-O-beta-D-galactopyranoside 
CAS_RN	30113-37-2 
FORMULA	C23H25O12 
EXACTMASS	493.134601264 
AVERAGEMASS	493.4374 
SMILES	[C@@H](Oc(c2)c(c(c4)cc(c(c(OC)4)O)OC)[o+1]c(c3)c(c(O)cc(O)3)2)(C(O)1)O[C@H](CO)[C@@H](C1O)O 
M  END