Mol:FL3FF8GS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 0.0004 -0.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0004 -1.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7015 -1.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4025 -1.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4025 -0.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7015 0.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1036 -1.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8047 -1.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8047 -0.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1036 0.1234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1036 -2.2757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5055 0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2200 -0.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9345 0.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9345 0.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2200 1.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5055 0.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 0.1848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0469 0.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4058 -0.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4826 -0.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5918 -0.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2391 0.4712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0468 0.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9345 -0.2111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4053 -0.5936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7047 -0.8278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7910 1.3607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7015 -2.2140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7779 0.7185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8037 0.7185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2650 1.6067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7015 0.8401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2971 2.2757 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 18 1 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 1 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 18 1 0 0 0 0 17 28 1 0 0 0 0 3 29 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 24 30 1 0 0 0 0 33 34 1 0 0 0 0 6 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 30 31 32 M SBL 1 1 35 M SMT 1 ^ COOH M SBV 1 35 0.7312 -0.6737 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 33 34 M SBL 2 1 37 M SMT 2 OCH3 M SBV 2 37 0.0000 -0.7167 S SKP 5 ID FL3FF8GS0001 FORMULA C22H20O12 EXACTMASS 476.095476104 AVERAGEMASS 476.387 SMILES c(c(C(=C4)Oc(c(C(=O)4)2)c(OC)c(OC(O3)C(O)C(C(O)C3C(O)=O)O)cc2O)1)cccc1O M END