Mol:FL3FACCS0037

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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  42  43
M  SBL   2  1  46
M  SMT   2  CH2OH
M  SVB   2 46   -2.1487    1.4378
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  44  45
M  SBL   1  1  48
M  SMT   1  OCH3
M  SVB   1 48     -3.91   -1.7512
S  SKP  8
ID	FL3FACCS0037
KNApSAcK_ID	C00006302
NAME	Isoorientin 2''-O-(E)-ferulate;trans-Feruloyl-2''-isoorientin
CAS_RN	60077-49-8
FORMULA	C31H28O14
EXACTMASS	624.147905604
AVERAGEMASS	624.5456200000001
SMILES	c(c5O)cc(cc(OC)5)C=CC(O[C@H]([C@H](c(c4O)c(c(c(c4)3)C(=O)C=C(O3)c(c2)cc(O)c(O)c2)O)1)[C@H]([C@H](C(CO)O1)O)O)=O
M  END

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