Mol:FL5FEAGS0017
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-0.8426 -0.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8426 -1.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.0727 0.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5057 0.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.0894 1.4016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0844 0.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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41 43 1 0 0 0 0
40 44 1 0 0 0 0
2 45 1 0 0 0 0
S SKP 8
ID FL5FEAGS0017
KNApSAcK_ID C00005934
NAME 6-Hydroxykaempferol 7-(6''-(E)-caffeylglucoside)
CAS_RN 150900-97-3
FORMULA C30H26O15
EXACTMASS 626.127170162
AVERAGEMASS 626.51844
SMILES c(c5)c(ccc5O)C(O1)=C(O)C(=O)c(c(O)2)c(cc(OC(C3O)OC(COC(=O)C=Cc(c4)ccc(O)c4O)C(O)C3O)c(O)2)1
M END
