Mol:FL2FAAGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -0.4151 0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4151 -0.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2802 -0.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9754 -0.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9754 0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2802 0.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6707 -0.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3659 -0.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3659 0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6707 0.9759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0608 0.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7753 0.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4899 0.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4899 1.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7753 2.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0608 1.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3659 1.5201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2802 -1.4319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1098 0.9757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8204 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2832 0.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6372 0.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8432 0.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5756 1.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3696 0.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0467 0.0496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9634 0.1918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4092 -0.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6707 -1.1459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7949 -0.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2890 -1.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3390 -1.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 -1.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8892 -0.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8393 -0.9944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 -2.2133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5385 -2.0516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8386 -1.3728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4812 -0.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2029 2.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0958 1.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2029 1.4128 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 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 9 17 1 1 0 0 0 3 18 1 0 0 0 0 1 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 20 23 1 1 0 0 0 20 24 1 0 0 0 0 24 25 1 0 0 0 0 25 21 1 0 0 0 0 23 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 7 29 2 0 0 0 0 30 31 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 33 36 1 0 0 0 0 32 37 1 0 0 0 0 31 38 1 0 0 0 0 30 39 1 0 0 0 0 34 26 1 0 0 0 0 14 40 1 0 0 0 0 41 42 1 0 0 0 0 25 41 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 41 42 M SBL 1 1 46 M SMT 1 ^CH2OH M SBV 1 46 0.7262 -0.4270 S SKP 5 ID FL2FAAGS0001 FORMULA C27H31HO14 EXACTMASS 580.179205732 AVERAGEMASS 580.53458 SMILES C(C4([H])c(c5)ccc(c5)O)C(=O)c(c3O)c(O4)cc(c3)OC(C1OC(O2)C(C(O)C(O)C(C)2)O)OC(CO)C(C1O)O M END