Mol:FL7AAAGL0035

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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  3  56  57  59
M  SBL   1  1  61
M  SMT   1  COOH
M  SVB   1 61   -3.9837    0.8148
S  SKP  8
ID	FL7AAAGL0035
KNApSAcK_ID	C00006774
NAME	Monodemalonylmonardaein
CAS_RN	101205-00-9
FORMULA	C39H39O20
EXACTMASS	827.2034686879999
AVERAGEMASS	827.71496
SMILES	Oc(c1)ccc(c([o+1]4)c(O[C@H](O5)C(O)C([C@@H](O)[C@H]5COC(C=Cc(c6)ccc(O)c6)=O)O)cc(c34)c(cc(c3)O)O[C@@H]([C@H]2O)OC([C@@H]([C@@H]2O)O)COC(CC(O)=O)=O)c1
M  END

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