Mol:FL3FAAGS0073
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 67 73 0 0 0 0 0 0 0 0999 V2000 -1.3351 1.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3351 1.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6206 0.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0938 1.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0938 1.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6206 2.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8083 0.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5228 1.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5228 1.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8083 2.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2372 2.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9517 1.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6662 2.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6662 3.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9517 3.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2372 3.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8083 -0.0720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6206 -0.0720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 3.6589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0547 2.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6982 0.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4661 0.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9605 1.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7226 1.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9548 1.6517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4602 0.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8937 1.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2490 0.2251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8330 0.2023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8943 0.8223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8937 1.7504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3871 0.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7093 -1.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4361 -1.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0052 -1.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7995 -0.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0729 -0.5467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5035 -1.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9762 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1821 -1.8955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7855 -1.9338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7705 -1.4877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9762 -0.2487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4085 -1.1348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3168 -2.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7149 -2.9403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4801 -2.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 -2.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2845 -2.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8909 -2.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0662 -2.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6351 -2.9122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0287 -3.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8534 -3.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1885 -2.8904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4376 0.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7230 0.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1361 1.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3356 1.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0502 1.7787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6371 1.1984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3251 1.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8943 0.5413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2299 0.2927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5460 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3251 2.1045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8044 1.2675 0.0000 O 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 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 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 7 17 2 0 0 0 0 3 18 1 0 0 0 0 14 19 1 0 0 0 0 20 1 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 21 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 27 31 2 0 0 0 0 27 32 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 38 39 1 0 0 0 0 33 40 1 0 0 0 0 34 41 1 0 0 0 0 35 42 1 0 0 0 0 39 43 2 0 0 0 0 39 44 1 0 0 0 0 36 30 1 0 0 0 0 45 46 2 0 0 0 0 45 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 54 49 1 0 0 0 0 52 55 1 0 0 0 0 42 45 1 0 0 0 0 56 57 1 1 0 0 0 57 58 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 56 1 0 0 0 0 61 62 1 0 0 0 0 56 63 1 0 0 0 0 57 64 1 0 0 0 0 58 65 1 0 0 0 0 62 66 2 0 0 0 0 62 67 1 0 0 0 0 59 20 1 0 0 0 0 24 19 1 0 0 0 0 S SKP 5 ID FL3FAAGS0073 FORMULA C42H40O25 EXACTMASS 944.1858668299999 AVERAGEMASS 944.752 SMILES OC(=O)C(C1O)OC(OC(C7O)C(OC(C7O)C(O)=O)Oc(c3)ccc(C(O6)=CC(c(c56)c(cc(c5)OC(C(O)4)OC(C(O)C4O)C(O)=O)O)=O)c3)C(OC(=O)C=Cc(c2)ccc(c2)O)C1O M END