Mol:FLIAEAGS0003

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Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  43  44
M  SBL   2  1  47
M  SMT   2  CH2OH
M  SVB   2 47   -4.0205    1.7857
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  41  42
M  SBL   1  1  45
M  SMT   1  OCH3
M  SVB   1 45   -0.0777   -0.3821
S  SKP  8
ID	FLIAEAGS0003
KNApSAcK_ID	C00010124
NAME	Tectorigenin 7-O-gentiobioside
CAS_RN	67604-94-8
FORMULA	C28H32O16
EXACTMASS	624.1690349759999
AVERAGEMASS	624.54408
SMILES	[C@@H](OCC([C@@H]2O)O[C@@H](Oc(c5)c(c(O)c(c53)C(C(c(c4)ccc(O)c4)=CO3)=O)OC)[C@@H](O)[C@@H](O)2)([C@@H](O)1)OC(CO)[C@H](O)[C@@H]1O
M  END

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