Mol:FL3FAECS0005

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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  39  40
M  SBL   1  1  43
M  SMT   1 ^CH2OH
M  SBV   1 43   -6.8823    6.3118
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  41  42
M  SBL   2  1  45
M  SMT   2 CH2OH
M  SBV   2 45   -5.7880    5.9293
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  43  44
M  SBL   3  1  47
M  SMT   3 OCH3
M  SBV   3 47   -5.8980    5.8658
S  SKP  8
ID	FL3FAECS0005
KNApSAcK_ID	C00006284
NAME	6,8-Di-C-glucopyranosyldiosmetin
CAS_RN	98813-28-6
FORMULA	C28H32O16
EXACTMASS	624.1690349759999
AVERAGEMASS	624.54408
SMILES	OC(C(O)1)C(C(OC1c(c53)c(O)c(c(c3C(C=C(O5)c(c4)ccc(OC)c4O)=O)O)C(C(O)2)OC(C(C2O)O)CO)CO)O
M  END

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