Mol:FL5FADGS0024
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 55 60 0 0 0 0 0 0 0 0999 V2000 2.0313 1.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3169 1.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3169 2.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0313 3.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7457 2.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7457 1.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6024 1.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 1.8252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8265 1.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8265 0.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 0.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6024 0.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5409 1.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2554 1.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2554 0.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5409 0.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 -0.6497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9698 1.8252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3169 0.1753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5409 -0.6497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4602 3.0627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0313 3.8877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7555 4.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6407 -1.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1809 -2.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4734 -1.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1183 -0.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2968 -0.6852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -1.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5806 -1.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1244 -1.8728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 -2.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2876 -2.4951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3505 -1.2132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0342 -3.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2127 -3.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9202 -2.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2752 -2.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0967 -2.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3893 -3.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9975 -3.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4602 -3.7335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2700 -4.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6413 -4.2349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2479 -2.9557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4952 -2.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4952 -3.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 -2.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8650 -2.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8650 -1.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2912 -2.2933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1976 -3.0644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0103 -3.4911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0489 -3.4823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0709 -3.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 24 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 26 34 1 0 0 0 0 35 36 1 1 0 0 0 36 37 1 1 0 0 0 38 37 1 1 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 35 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 35 43 1 0 0 0 0 36 44 1 0 0 0 0 37 45 1 0 0 0 0 38 31 1 0 0 0 0 27 19 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 46 1 0 0 0 0 49 52 1 0 0 0 0 48 53 1 0 0 0 0 47 54 1 0 0 0 0 46 55 1 0 0 0 0 50 34 1 0 0 0 0 S SKP 5 ID FL5FADGS0024 FORMULA C34H42O21 EXACTMASS 786.2218584059999 AVERAGEMASS 786.68468 SMILES C(OC(O6)C(O)C(C(O)C6CO)O)C(O2)C(O)C(O)C(C2OC(=C4c(c5)cc(OC)c(O)c5)C(=O)c(c(O4)3)c(cc(c3)O)O)OC(O1)C(C(C(O)C1C)O)O M END