Mol:FL5FACGL0067

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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  66  67
M  SBL   2  1  72
M  SMT   2  CH2OH
M  SVB   2 72    0.1495   -3.0248
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  64  65
M  SBL   1  1  70
M  SMT   1  CH2OH
M  SVB   1 70   -2.5348   -0.7694
S  SKP  8
ID	FL5FACGL0067
KNApSAcK_ID	C00005986
NAME	Quercetin 3-(6''''-caffeylsophorotrioside)
CAS_RN	167638-64-4
FORMULA	C42H46O25
EXACTMASS	950.2328170220001
AVERAGEMASS	950.79964
SMILES	[C@H]([C@@H](O)4)(O)[C@@H]([C@H](OC(C(=O)5)=C(c(c7)cc(c(c7)O)O)Oc(c6)c5c(O)cc(O)6)OC4CO)O[C@@H](C1O[C@@H](O2)[C@@H]([C@@H]([C@@H](C(COC(=O)C=Cc(c3)cc(O)c(c3)O)2)O)O)O)O[C@@H]([C@@H](C1O)O)CO
M  END

</pre>

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