Mol:FL7AACGL0036

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FL7AACGL0036.png 

 
 
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M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  55  56 
M  SBL   3  1  60 
M  SMT   3  CH2OH 
M  SVB   3 60    3.6899   -2.4043 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  57  58 
M  SBL   2  1  62 
M  SMT   2  OCH3 
M  SVB   2 62    1.4831    2.5735 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  53  54 
M  SBL   1  1  58 
M  SMT   1  OCH3 
M  SVB   1 58    3.3381    2.2376 
S  SKP  8 
ID	FL7AACGL0036 
KNApSAcK_ID	C00006806 
NAME	Alatanin 1 
CAS_RN	131189-50-9 
FORMULA	C38H41O20 
EXACTMASS	817.219118752 
AVERAGEMASS	817.72014 
SMILES	c(c6)c(cc(O)c6O)c([o+1]5)c(cc(c54)c(O)cc(O)c4)O[C@@H](C3O)O[C@@H]([C@@H](C(O)3)OC(=O)C=Cc(c2)cc(c(c(OC)2)O)OC)CO[C@H](O1)C(O)C([C@@H](O)[C@@H](CO)1)O 
M  END
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