Mol:FL5FACGL0041
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 54 59 0 0 0 0 0 0 0 0999 V2000 -1.3059 0.8226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3059 0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5948 -0.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1163 0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1163 0.8226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5948 1.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8274 -0.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5387 0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5387 0.8226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8274 1.2332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8274 -1.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2494 1.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9742 0.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6990 1.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6990 2.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9742 2.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2494 2.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0168 1.2331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2295 -0.4557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5948 -1.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8764 -1.8576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4473 -2.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2726 -2.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1027 -2.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -1.8576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7067 -2.0934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1233 -1.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2993 0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8702 -0.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6954 -0.3857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5256 -0.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9548 0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1296 -0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4418 0.0306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5738 0.5556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7002 -0.0241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2108 -0.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4187 -1.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8916 -2.4044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7971 -3.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1027 -3.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5094 2.5378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9742 3.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7617 1.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2433 0.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4970 0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7192 0.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3002 1.5249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0626 1.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3962 1.0735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9169 0.6768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7587 0.5220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4785 1.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7002 2.1940 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 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 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 1 18 1 0 0 0 0 8 19 1 0 0 0 0 3 20 1 0 0 0 0 21 22 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 21 1 0 0 0 0 21 27 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 1 0 0 0 30 31 1 1 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 28 1 0 0 0 0 28 34 1 0 0 0 0 33 35 1 0 0 0 0 32 36 1 0 0 0 0 31 37 1 0 0 0 0 25 38 1 0 0 0 0 37 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 29 19 1 0 0 0 0 42 15 1 0 0 0 0 16 43 1 0 0 0 0 44 45 1 1 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 44 1 0 0 0 0 44 50 1 0 0 0 0 45 51 1 0 0 0 0 46 52 1 0 0 0 0 47 18 1 0 0 0 0 53 54 1 0 0 0 0 49 53 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 53 54 M SBL 1 1 59 M SMT 1 ^ CH2OH M SBV 1 59 0.4160 -0.5663 S SKP 5 ID FL5FACGL0041 FORMULA C33H40O21 EXACTMASS 772.206208342 AVERAGEMASS 772.6581 SMILES c(c5)(c(c(cc5OC(C(O)6)OC(CO)C(O)C6O)1)C(=O)C(OC(C(O)3)OC(COC(C4O)OC(C(C4O)O)C)C(O)C3O)=C(c(c2)ccc(O)c(O)2)O1)O M END