Mol:FL3FEAGS0044
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 3.3757 0.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0765 0.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0765 1.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3757 1.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6747 1.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6747 0.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9597 0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2453 0.5092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5307 0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5307 -0.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2453 -1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9597 -0.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1945 0.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9197 0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9197 -0.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1945 -1.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2453 -1.8682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6868 -1.1836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1945 -1.8681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6518 0.5054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7022 0.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1235 -0.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2916 0.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3862 0.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9649 0.9241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7968 0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6488 -0.1984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9459 -0.0136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2230 1.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4103 0.5098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9518 1.2074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8415 1.8682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6212 1.6332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4103 1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 11 17 2 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 14 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 23 27 1 0 0 0 0 22 28 1 0 0 0 0 26 29 1 0 0 0 0 21 30 1 0 0 0 0 20 24 1 0 0 0 0 29 31 2 0 0 0 0 29 32 1 0 0 0 0 33 34 1 0 0 0 0 3 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 33 34 M SBL 1 1 37 M SMT 1 OCH3 M SBV 1 37 -0.5447 -0.3145 S SKP 5 ID FL3FEAGS0044 FORMULA C22H20O12 EXACTMASS 476.095476104 AVERAGEMASS 476.387 SMILES O=C(c31)C=C(c(c4)ccc(OC)c4)Oc(cc(c(c(O)3)O)OC(O2)C(O)C(C(O)C2C(O)=O)O)1 M END