Mol:FL3FA8GS0002

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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   -0.6985    2.0939
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   -1.8234    0.1306
S  SKP  8
ID	FL3FA8GS0002
KNApSAcK_ID	C00004138
NAME	Echioidin
CAS_RN	6736-71-6
FORMULA	C22H22O10
EXACTMASS	446.121296924
AVERAGEMASS	446.40408
SMILES	O[C@@H]([C@H]1O)[C@H](Oc(c2)c(C(=C4)Oc(c3)c(C4=O)c(cc3OC)O)ccc2)OC(CO)[C@@H]1O
M  END

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