Mol:FL3FCADS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -3.3493 -0.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3493 -1.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6488 -1.9985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9482 -1.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9482 -0.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6488 -0.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2477 -1.9985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5472 -1.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5472 -0.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2477 -0.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2477 -2.6293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5059 2.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4201 1.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4006 0.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6671 0.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9193 0.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0313 1.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6936 2.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2230 2.4841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1545 0.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6488 -2.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2311 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9693 -0.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7075 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7075 0.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9693 0.9238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2311 0.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4453 0.9236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2942 -1.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3772 -0.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8185 0.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2484 1.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2674 0.0154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8514 -0.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9626 -1.6886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8568 -1.1751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5923 0.1222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 -1.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 1.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 0.9503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9628 -0.4817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5923 0.6090 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 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 28 32 1 0 0 0 0 34 38 1 0 0 0 0 39 40 1 0 0 0 0 17 39 1 0 0 0 0 41 42 1 0 0 0 0 1 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 CH2OH M SBV 1 44 -0.7855 -0.4136 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 0.6134 -0.3035 S SKP 5 ID FL3FCADS0006 FORMULA C28H32O14 EXACTMASS 592.179205732 AVERAGEMASS 592.54528 SMILES C(=O)(c34)C=C(Oc3c(C(C(O)5)OC(CO)C(O)C5O)c(cc(O)4)OC)c(c2)ccc(c2)OC(O1)C(O)C(C(O)C1C)O M END