Mol:FLIA2AGS0006

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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  38  39
M  SBL   3  1  41
M  SMT   3  OCH3
M  SVB   3 41    3.4832   -1.8776
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  36  37
M  SBL   2  1  39
M  SMT   2  OCH3
M  SVB   2 39   -1.3701   -0.5861
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  33  35  34
M  SBL   1  1  36
M  SMT   1  COOH
M  SVB   1 36   -1.5409    1.7834
S  SKP  8
ID	FLIA2AGS0006
KNApSAcK_ID	C00010169
NAME	Afrormosin 7-O-(6''-malonylglucoside)
CAS_RN	131670-16-1
FORMULA	C26H26O13
EXACTMASS	546.137340918
AVERAGEMASS	546.4768399999999
SMILES	[C@H](O)([C@H](Oc(c(OC)4)cc(O2)c(c4)C(=O)C(c(c3)ccc(OC)c3)=C2)1)[C@H]([C@@H](O)C(COC(=O)CC(O)=O)O1)O
M  END

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