Mol:FL7AAAGA0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 46 50 0 0 0 0 0 0 0 0999 V2000 -2.0985 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0985 1.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3841 0.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6697 1.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6697 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3841 2.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0448 0.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7593 1.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7593 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0448 2.3455 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 1.5357 2.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2502 1.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9647 2.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9647 3.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2502 3.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5357 3.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6049 3.5759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4033 0.7361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6785 2.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4033 0.1377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8146 -0.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -1.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4304 -0.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1777 -0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 0.1494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0675 -0.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6243 -0.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4444 -0.1769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7777 -0.4456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6647 -1.6023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7216 -1.0637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1584 -2.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3417 -3.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0113 -2.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6584 -1.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1582 -1.7191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4888 -2.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8019 -2.2907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6865 -3.5752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2711 -3.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1759 -0.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8904 -0.1867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1759 -1.4242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8904 -1.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6049 -1.4242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8904 -2.6616 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 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 14 17 1 0 0 0 0 8 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 18 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 34 38 1 0 0 0 0 33 39 1 0 0 0 0 32 40 1 0 0 0 0 35 31 1 0 0 0 0 28 41 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 M CHG 1 10 1 S SKP 5 ID FL7AAAGA0008 FORMULA C29H31O17 EXACTMASS 651.156124566 AVERAGEMASS 651.54624 SMILES OC(C5O)C(O)C(OC5)OC(C(Oc(c4)c([o+1]c(c43)cc(O)cc3O)c(c2)ccc(O)c2)1)C(C(O)C(O1)COC(CC(O)=O)=O)O M END