Mol:FL5FAIGS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 46 50 0 0 0 0 0 0 0 0999 V2000 1.9005 1.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 1.8523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 2.6773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9005 3.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6150 2.6773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6150 1.8523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4716 1.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2428 1.8523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9573 1.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9573 0.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2428 0.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4716 0.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6717 1.8523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3862 1.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3862 0.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6717 0.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2428 -0.5046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1007 1.8523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2471 0.1227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6717 -0.4886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3295 3.0898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9005 3.9147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2929 1.4609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9572 1.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5013 4.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4532 -2.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3711 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6264 -1.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2459 -1.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4216 -0.9936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1663 -1.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5851 -1.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5221 -2.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5376 -1.9169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 -2.9283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4173 -1.4278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8969 -2.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3096 -3.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5161 -3.3545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7179 -3.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3051 -2.8490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0987 -3.0757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6605 -4.2615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0322 -4.0402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9572 -3.3704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6108 -2.9907 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 6 23 1 0 0 0 0 23 24 1 0 0 0 0 22 25 1 0 0 0 0 26 27 1 1 0 0 0 27 28 1 1 0 0 0 29 28 1 1 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 26 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 26 34 1 0 0 0 0 27 35 1 0 0 0 0 28 36 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 1 0 0 0 40 39 1 1 0 0 0 41 40 1 1 0 0 0 41 42 1 0 0 0 0 42 37 1 0 0 0 0 40 43 1 0 0 0 0 39 44 1 0 0 0 0 38 45 1 0 0 0 0 37 46 1 0 0 0 0 41 33 1 0 0 0 0 29 19 1 0 0 0 0 S SKP 5 ID FL5FAIGS0005 FORMULA C29H34O17 EXACTMASS 654.179599662 AVERAGEMASS 654.57006 SMILES c(C(O2)=C(OC(O4)C(O)C(C(C4COC(O5)C(C(C(O)C(C)5)O)O)O)O)C(=O)c(c(O)3)c2cc(c3)O)(c1)cc(c(c1OC)O)OC M END