Mol:FLNACCGS0001

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Copyright: ARM project http://www.metabolome.jp/
 33 36  0  0  0  0  0  0  0  0999 V2000
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  7  8  1  0  0  0  0
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  1  9  1  0  0  0  0
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 32 33  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  32  33
M  SBL   2  1  35
M  SMT   2  CH2OH
M  SVB   2 35   -1.6924    0.1035
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  30  31
M  SBL   1  1  33
M  SMT   1  OCH3
M  SVB   1 33   -0.8957     2.099
S  SKP  8
ID	FLNACCGS0001
KNApSAcK_ID	C00010235
NAME	5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-glucoside
CAS_RN	116310-58-8
FORMULA	C22H22O11
EXACTMASS	462.116211546
AVERAGEMASS	462.40348000000006
SMILES	c(c(O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)1)c(OC)cc(O3)c1C(=CC(=O)3)c(c2)ccc(c2O)O
M  END

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