Mol:FL2FAAGS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -4.1194 -0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1194 -0.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4049 -1.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6905 -0.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6905 -0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4049 0.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9760 -1.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2615 -0.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2615 -0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9760 0.4098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5473 0.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1809 -0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9091 0.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9091 1.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1809 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5473 1.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9760 -1.9386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8338 0.4098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6373 1.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4049 -2.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9040 1.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5595 1.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2220 1.4697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8884 1.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2330 1.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5704 1.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3072 1.8771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9476 2.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8338 1.7161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4577 1.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4302 -0.0036 0.0000 O 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 7 17 2 0 0 0 0 18 1 1 0 0 0 0 14 19 1 0 0 0 0 3 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 22 19 1 0 0 0 0 30 31 1 0 0 0 0 24 30 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 34 M SMT 1 CH2OH M SBV 1 34 -0.5693 0.0000 S SKP 5 ID FL2FAAGS0008 FORMULA C21H22O10 EXACTMASS 434.121296924 AVERAGEMASS 434.39338 SMILES c(c1C(C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)cc(OC(O2)C(O)C(O)C(O)C2CO)cc1 M END