Mol:FL5FCAGL0003

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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    0.0794   -2.1491
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  40  41
M  SBL   1  1  44
M  SMT   1  OCH3
M  SVB   1 44   -2.6266    1.9475
S  SKP  8
ID	FL5FCAGL0003
KNApSAcK_ID	C00005278
NAME	Rhamnocitrin 3-neohesperidoside
CAS_RN	129885-17-2
FORMULA	C28H32O15
EXACTMASS	608.174120354
AVERAGEMASS	608.54468
SMILES	[C@@H]([C@H](O)1)([C@@H](C(C)O[C@@H]1OC(C(O)5)[C@@H](O[C@H](CO)[C@H](O)5)OC(C(=O)2)=C(c(c4)ccc(c4)O)Oc(c3)c(c(O)cc3OC)2)O)O
M  END

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