Mol:FL5FDCGS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -1.3065 -0.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3065 -1.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5921 -1.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1224 -1.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1224 -0.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5921 -0.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8368 -1.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5512 -1.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5512 -0.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8368 -0.0855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8368 -2.3787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2654 -0.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9935 -0.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7216 -0.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7216 0.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9935 1.1755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2654 0.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0207 -0.0858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5921 -2.5601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3169 1.0988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9935 1.8480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5954 0.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7886 -0.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0447 0.6260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7886 1.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5954 1.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3396 1.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2361 2.5601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7188 2.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0020 1.6410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3169 0.1977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3602 -1.7901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4723 -2.4322 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 1 18 1 0 0 0 0 3 19 1 0 0 0 0 20 15 1 0 0 0 0 16 21 1 0 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 27 30 1 0 0 0 0 22 31 1 0 0 0 0 23 18 1 0 0 0 0 32 33 1 0 0 0 0 8 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 36 M SMT 1 OCH3 M SBV 1 36 -0.8090 0.4671 S SKP 5 ID FL5FDCGS0004 FORMULA C22H22O11 EXACTMASS 462.116211546 AVERAGEMASS 462.40348000000006 SMILES Oc(c24)cc(cc2OC(=C(C4=O)OC)c(c3)ccc(c3O)O)OC(C1O)OC(C(O)C1O)C M END