Mol:FL7AAIGL0017

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  44  45 
M  SBL   4  1  48 
M  SMT   4  CH2OH 
M  SVB   4 48   -4.5029   -0.9086 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  51  52 
M  SBL   3  1  55 
M  SMT   3  OCH3 
M  SVB   3 55    0.8214    0.8975 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  49  50 
M  SBL   2  1  53 
M  SMT   2  OCH3 
M  SVB   2 53    0.3283    2.6619 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  3  46  48  47 
M  SBL   1  1  50 
M  SMT   1  COOH 
M  SVB   1 50      4.67   -2.0279 
S  SKP  8 
ID	FL7AAIGL0017 
KNApSAcK_ID	C00006908 
NAME	Malonylmalvin 
CAS_RN	121748-28-5 
FORMULA	C32H37O20 
EXACTMASS	741.187818624 
AVERAGEMASS	741.62418 
SMILES	[C@H]([C@@H](O)1)(Oc(c42)cc(cc2[o+1]c(c(c5)cc(OC)c(O)c(OC)5)c(c4)O[C@@H](C(O)3)O[C@H](COC(=O)CC(O)=O)[C@H](O)C3O)O)OC(CO)[C@H](O)[C@@H]1O 
M  END