Mol:FL5FAAGS0055
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
-3.8370 1.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8370 0.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2807 0.6133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.7244 1.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.1681 0.6133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.6118 1.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1681 1.8981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1681 0.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-0.3443 1.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.2226 2.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3443 3.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9113 2.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.5690 -2.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.4928 -2.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8988 -2.5686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7974 1.3273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0991 0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7096 0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0021 0.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.9259 -0.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.9259 0.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3320 0.2983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
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36 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
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45 46 2 0 0 0 0
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48 49 1 0 0 0 0
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50 51 1 0 0 0 0
51 52 2 0 0 0 0
52 47 1 0 0 0 0
50 53 1 0 0 0 0
44 28 1 0 0 0 0
S SKP 8
ID FL5FAAGS0055
KNApSAcK_ID C00005868
NAME Kaempferol 3-(2'',4''-di-(E)-p-coumarylrhamnoside)
CAS_RN 163434-73-9
FORMULA C39H32O14
EXACTMASS 724.179205732
AVERAGEMASS 724.6629800000001
SMILES c(c6)(ccc(c6)O)C=CC(OC(C(O)4)C(OC(C)C4OC(C=Cc(c5)ccc(O)c5)=O)OC(=C1c(c3)ccc(O)c3)C(=O)c(c2O)c(cc(c2)O)O1)=O
M END
