Mol:FL5FACGS0120
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
85 92 0 0 0 0 0 0 0 0999 V2000
-1.9573 1.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6718 1.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-5.5297 1.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-6.2442 0.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.9971 3.6549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL5FACGS0120
KNApSAcK_ID C00013892
NAME Quercetin 3-(2''-sinapoylglucoside)-3'-(6''-sinapoylglucoside)-4'-glucoside;2-[4-(beta-D-Glucopyranosyloxy)-3-[[6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]phenyl]-5,7-dihydroxy-3-[[2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one
CAS_RN 352639-77-1
FORMULA C55H60O30
EXACTMASS 1200.31694058
AVERAGEMASS 1201.0468999999998
SMILES C(=O)(OC(C(OC(=C4c(c5)ccc(OC(C(O)8)OC(C(O)C(O)8)CO)c5OC(C7O)OC(C(C7O)O)COC(C=Cc(c6)cc(OC)c(O)c(OC)6)=O)C(c(c(O)3)c(O4)cc(O)c3)=O)2)C(C(C(O2)CO)O)O)C=Cc(c1)cc(OC)c(c1OC)O
M END
