Mol:FL5FECGS0005
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -3.4232 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4232 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7220 -1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7220 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3196 -1.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6184 -1.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6184 -0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3196 0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3196 -2.0676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0826 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7973 -0.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5120 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5120 1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7973 1.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0826 1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1242 0.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1987 -1.7251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5164 -1.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0277 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9674 -1.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9128 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4015 -1.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4618 -1.3742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7869 -1.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8020 -0.8506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1242 -1.2746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2265 1.4206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7220 -2.2457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7973 2.2457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0749 -1.3301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1743 -1.8501 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 20 21 1 0 0 0 0 21 22 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 21 19 1 0 0 0 0 19 8 1 0 0 0 0 23 22 1 1 0 0 0 15 29 1 0 0 0 0 3 30 1 0 0 0 0 16 31 1 0 0 0 0 32 33 1 0 0 0 0 2 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 0.6516 0.2987 S SKP 5 ID FL5FECGS0005 FORMULA C21H20O12 EXACTMASS 464.095476104 AVERAGEMASS 464.37629999999996 SMILES COc(c1O)c(O)cc(O2)c1C(C(OC(O4)C(O)C(C(O)C4)O)=C2c(c3)cc(c(O)c3)O)=O M END
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