Mol:FL1DAACS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 1.2685 -0.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9830 -0.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5148 -0.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1997 -0.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9141 -0.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9141 -1.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6286 -0.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3431 -0.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3431 -1.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6286 -1.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3479 1.7818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7628 1.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1843 0.4798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9865 -0.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5715 0.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1500 0.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7198 1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7181 1.9622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0074 1.9607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8984 1.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8247 0.3103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9830 -1.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6974 -1.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4119 -1.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4119 -0.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6974 -0.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0074 -1.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2361 -1.9412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0225 -1.9420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6286 0.4530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1997 0.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 6 1 0 0 0 0 11 12 1 1 0 0 0 12 13 1 1 0 0 0 14 13 1 1 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 11 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 13 21 1 0 0 0 0 2 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 2 1 0 0 0 0 24 27 1 0 0 0 0 6 28 1 0 0 0 0 9 29 1 0 0 0 0 14 8 1 0 0 0 0 7 30 1 0 0 0 0 4 31 2 0 0 0 0 S SKP 8 ID FL1DAACS0001 KNApSAcK_ID C00014024 NAME Nothofagin;1-(3-beta-D-Glucopyranosyl-2,4,6-trihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone CAS_RN 11023-94-2 FORMULA C21H24O10 EXACTMASS 436.136946988 AVERAGEMASS 436.40926 SMILES Oc(c3)ccc(c3)CCC(=O)c(c1O)c(O)cc(c1C(C(O)2)OC(CO)C(O)C2O)O M END