Mol:FL3FAADS0020
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 51 56 0 0 0 0 0 0 0 0999 V2000 -2.0662 -1.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0662 -2.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3640 -2.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6618 -2.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6618 -1.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3640 -1.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0404 -2.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7426 -2.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7426 -1.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0404 -1.2592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0404 -3.5130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7682 -1.2593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2193 1.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9837 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6593 0.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6507 -0.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0658 0.0839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4509 0.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6178 2.4071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9837 1.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1218 -0.1586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3640 -3.6914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5227 -1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2626 -1.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0026 -1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0026 -0.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2626 0.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5227 -0.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7421 0.0481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7658 -2.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2973 -3.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6226 -3.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9717 -3.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4446 -2.5336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0350 -2.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5839 -1.9787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0276 -3.3117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1839 -3.4524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8618 3.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0974 2.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4218 1.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4304 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0153 1.4096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6302 2.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4873 3.6914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0974 3.3169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0023 1.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0236 1.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0179 0.9712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0219 2.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0276 2.2614 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 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 1 12 1 0 0 0 0 13 14 1 1 0 0 0 14 15 1 1 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 6 16 1 0 0 0 0 3 22 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 23 9 1 0 0 0 0 26 29 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 1 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 30 36 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 33 2 1 0 0 0 0 39 40 1 1 0 0 0 40 41 1 1 0 0 0 42 41 1 1 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 39 1 0 0 0 0 39 45 1 0 0 0 0 40 46 1 0 0 0 0 41 47 1 0 0 0 0 42 29 1 0 0 0 0 48 49 1 0 0 0 0 18 48 1 0 0 0 0 50 51 1 0 0 0 0 44 50 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 48 49 M SBL 1 1 54 M SMT 1 CH2OH M SBV 1 54 -0.4272 -0.4272 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 50 51 M SBL 2 1 56 M SMT 2 CH2OH M SBV 2 56 -0.3916 -0.3916 S SKP 5 ID FL3FAADS0020 FORMULA C32H38O19 EXACTMASS 726.200729034 AVERAGEMASS 726.6327200000001 SMILES OC(C(O)1)C(C(CO)OC1c(c52)c(c(C(C(O)6)OCC(O)C6O)c(O)c2C(=O)C=C(O5)c(c3)ccc(OC(O4)C(O)C(C(O)C(CO)4)O)c3)O)O M END