Mol:FL3FCACS0004

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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  31  32
M  SBL   2  1  34
M  SMT   2  CH2OH
M  SVB   2 34   -1.0378    1.5845
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  29  30
M  SBL   1  1  32
M  SMT   1  OCH3
M  SVB   1 32   -2.4484    -0.338
S  SKP  8
ID	FL3FCACS0004
KNApSAcK_ID	C00006129
NAME	Isoswertisin;7-O-Methylvitexin;Isoflavocommelitin;8-beta-D-Glucopyranosyl-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
CAS_RN	6980-40-1
FORMULA	C22H22O10
EXACTMASS	446.121296924
AVERAGEMASS	446.40408
SMILES	O[C@@H]([C@H]1O)[C@H](O)[C@H](c(c42)c(cc(O)c(C(C=C(O4)c(c3)ccc(c3)O)=O)2)OC)OC1CO
M  END

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