Mol:FL7AACGL0036

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FL7AACGL0036.png 

<pre>

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  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

</pre>

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