Mol:FL5FAAGS0125
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 55 60 0 0 0 0 0 0 0 0999 V2000 2.0195 4.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0195 3.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7339 2.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4484 3.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4484 4.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7339 4.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3049 2.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5904 3.4049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 2.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 2.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5904 1.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3049 2.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8386 3.4049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5531 2.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5531 2.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8386 1.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5904 1.0366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2676 3.4049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9113 1.8173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0492 4.5768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8386 1.0553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5018 -0.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3246 -0.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4844 0.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0344 0.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2115 0.7492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0516 -0.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4337 -0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0622 -0.6144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4856 -1.3364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0830 -1.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 0.3986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5697 -1.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9822 -2.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1890 -1.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3909 -2.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0218 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7716 -1.5717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3749 -2.6335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6637 -2.4946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4321 -1.8179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2009 -1.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0015 -2.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9958 -2.9138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6764 -1.8746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1456 -3.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5581 -4.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7648 -3.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9667 -4.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5541 -3.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3474 -3.5188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9302 -4.6424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3014 -4.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0492 -3.9093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8799 -3.4956 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 5 20 1 0 0 0 0 16 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 19 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 37 36 1 1 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 36 39 1 0 0 0 0 35 40 1 0 0 0 0 34 41 1 0 0 0 0 33 42 1 0 0 0 0 37 29 1 0 0 0 0 41 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 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 40 1 0 0 0 0 S SKP 5 ID FL5FAAGS0125 FORMULA C35H42O20 EXACTMASS 782.226943784 AVERAGEMASS 782.69598 SMILES c(O)(c1)ccc(C(=C(OC(O4)C(O)C(C(O)C(COC(O6)C(C(C(OC(C)=O)C(C)6)OC(O5)C(O)C(O)C(O)C5C)O)4)O)2)Oc(c3)c(c(cc3O)O)C2=O)c1 M END