Mol:FL3FAICS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -2.3243 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3243 -1.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6097 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8953 -1.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8953 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6097 -0.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1807 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5337 -1.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5337 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1807 -0.3749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1807 -2.6683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0385 -0.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3275 -0.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0805 -0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8334 -0.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8334 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0805 0.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3275 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9457 1.1630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4654 2.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2433 1.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9132 1.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9044 0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3094 0.8166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7011 1.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2247 2.8266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3155 0.4084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6097 -2.8497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7916 -1.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3148 -2.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6283 -2.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9658 -2.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4472 -1.5357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0478 -1.8527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6781 -1.0063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0580 -2.3275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1084 -2.3780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 2.5532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9457 -0.9908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0580 -1.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4567 1.7026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0344 2.8497 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 1 12 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 13 9 1 0 0 0 0 16 19 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 21 26 1 0 0 0 0 22 27 1 0 0 0 0 6 23 1 0 0 0 0 3 28 1 0 0 0 0 29 30 1 1 0 0 0 30 31 1 1 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 29 1 0 0 0 0 29 35 1 0 0 0 0 30 36 1 0 0 0 0 31 37 1 0 0 0 0 32 2 1 0 0 0 0 20 38 1 0 0 0 0 39 40 1 0 0 0 0 15 39 1 0 0 0 0 41 42 1 0 0 0 0 17 41 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 39 40 M SBL 1 1 44 M SMT 1 OCH3 M SBV 1 44 -1.1123 0.6421 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 41 42 M SBL 2 1 46 M SMT 2 OCH3 M SBV 2 46 -0.3762 -0.7471 S SKP 5 ID FL3FAICS0002 FORMULA C27H30O15 EXACTMASS 594.15847029 AVERAGEMASS 594.5181 SMILES C(C5O)(OCC(C5O)O)c(c(O)1)c(O)c(C4=O)c(OC(=C4)c(c3)cc(OC)c(O)c(OC)3)c(C(O2)C(O)C(O)C(O)C2)1 M END