Mol:FL5FACNS0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -1.9630 -0.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -1.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -1.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 -1.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 -0.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -0.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -1.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 -1.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 -0.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -0.3102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -2.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 -0.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 -0.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 -0.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 0.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 0.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 0.3444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 -1.5948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -2.2370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5191 -0.3103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5191 0.6716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 1.3262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8439 1.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8439 2.2370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3117 1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2194 1.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3117 0.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 8 18 1 0 0 0 0 3 19 1 0 0 0 0 1 20 1 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 S SKP 8 ID FL5FACNS0003 KNApSAcK_ID C00004929 NAME Quercetin 3'-isobutyrate CAS_RN 102607-69-2 FORMULA C19H16O8 EXACTMASS 372.08451748799996 AVERAGEMASS 372.32554 SMILES c(c21)(O)cc(O)cc(OC(c(c3)cc(OC(=O)C(C)C)c(O)c3)=C(C2=O)O)1 M END
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