Mol:FL3FAACS0037

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Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  52  53
M  SBL   1  1  57
M  SMT   1  CH2OH
M  SVB   1 57   -2.9584    2.7474
S  SKP  8
ID	FL3FAACS0037
KNApSAcK_ID	C00006318
NAME	Marginatoside
CAS_RN	66761-06-6
FORMULA	C33H40O20
EXACTMASS	756.21129372
AVERAGEMASS	756.6587
SMILES	O(c23)C(=CC(=O)c(c(cc(O)c3[C@H](C(O)4)O[C@@H](CO[C@@H]([C@@H](O)5)OC(CO[C@@H]([C@H]6O)OC([C@@H]([C@@H]6O)O)CO)[C@H](O)[C@@H]5O)[C@H](C4O)O)O)2)c(c1)ccc(c1)O
M  END

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