Mol:FL3FCACS0027
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 52 57 0 0 0 0 0 0 0 0999 V2000 -1.0688 -1.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0688 -1.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3543 -2.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3602 -1.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3602 -1.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3543 -0.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0746 -2.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7891 -1.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7891 -1.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0746 -0.6506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0746 -2.9439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2041 2.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9819 1.8571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6520 1.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6431 0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0481 0.7849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4399 1.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6941 3.1254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0252 2.5886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0337 0.2943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3543 -3.1254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5826 -0.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3355 -1.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0885 -0.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0885 0.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3355 0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5826 0.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8408 0.6794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7626 -2.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2859 -2.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5994 -2.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9371 -2.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4184 -2.1858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0190 -2.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3345 -2.5564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9614 -3.0400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8335 -3.0678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4296 0.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9529 -0.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2664 -0.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6041 -0.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0853 0.3918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6859 0.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4114 0.8469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6509 -0.2993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7466 -0.4711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9724 -0.9039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2518 -0.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 2.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9201 1.6195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8451 -1.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8408 -1.5896 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 12 13 1 1 0 0 0 13 14 1 1 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 6 15 1 0 0 0 0 3 21 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 22 1 0 0 0 0 22 9 1 0 0 0 0 25 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 38 39 1 1 0 0 0 39 40 1 1 0 0 0 41 40 1 1 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 38 1 0 0 0 0 38 44 1 0 0 0 0 39 45 1 0 0 0 0 40 46 1 0 0 0 0 20 41 1 0 0 0 0 47 48 1 0 0 0 0 1 47 1 0 0 0 0 49 50 1 0 0 0 0 17 49 1 0 0 0 0 51 52 1 0 0 0 0 34 51 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 47 48 M SBL 1 1 53 M SMT 1 ^ OCH3 M SBV 1 53 0.9036 -0.1593 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 49 50 M SBL 2 1 55 M SMT 2 CH2OH M SBV 2 55 -0.4424 -0.6221 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 51 52 M SBL 3 1 57 M SMT 3 ^ CH2OH M SBV 3 57 0.8261 -0.5509 S SKP 5 ID FL3FCACS0027 FORMULA C33H40O19 EXACTMASS 740.216379098 AVERAGEMASS 740.6593 SMILES OC(C1)C(C(O)C(OC(C2c(c(OC)5)c(c(c(O)c5C(O6)C(O)C(O)C(C6CO)O)3)OC(c(c4)ccc(c4)O)=CC(=O)3)C(C(O)C(O2)CO)O)O1)O M END