Mol:FL3FECGS0052
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 45 49 0 0 0 0 0 0 0 0999 V2000 3.4113 0.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4113 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1258 -0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8403 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8403 0.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1258 1.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6969 -0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9824 -0.2053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2679 -0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2679 -1.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9824 -1.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6969 -1.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5535 -0.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 -0.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 -1.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5535 -1.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9824 -2.5736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8755 -0.2053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5535 -2.5412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5459 1.0213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5047 -0.5889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8141 -1.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2191 -0.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5344 -1.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5058 0.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0933 -0.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2952 -0.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5019 -0.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9144 0.2345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7125 0.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7260 -0.9108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1109 0.0155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7456 -0.3699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1016 0.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8262 0.5884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0496 1.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8569 1.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3950 1.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3460 0.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5388 0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0005 0.9861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8581 2.5736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2346 2.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2191 1.6024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9699 0.2249 0.0000 O 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 2 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 14 18 1 0 0 0 0 11 17 2 0 0 0 0 16 19 1 0 0 0 0 5 20 1 0 0 0 0 4 21 1 0 0 0 0 15 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 25 26 1 1 0 0 0 26 27 1 1 0 0 0 28 27 1 1 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 25 1 0 0 0 0 27 31 1 0 0 0 0 25 32 1 0 0 0 0 26 33 1 0 0 0 0 30 34 1 0 0 0 0 34 35 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 1 0 0 0 39 38 1 1 0 0 0 40 39 1 1 0 0 0 40 41 1 0 0 0 0 41 36 1 0 0 0 0 37 42 1 0 0 0 0 36 43 1 0 0 0 0 38 44 1 0 0 0 0 39 45 1 0 0 0 0 35 40 1 0 0 0 0 28 18 1 0 0 0 0 S SKP 5 ID FL3FECGS0052 FORMULA C29H34O16 EXACTMASS 638.18468504 AVERAGEMASS 638.57066 SMILES COc(c(O)1)cc(C(=C2)Oc(c3)c(c(c(c3OC(C(O)4)OC(COC(O5)C(C(C(O)C(C)5)O)O)C(O)C(O)4)OC)O)C(=O)2)cc1 M END
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