Mol:FL5FECGS0064
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 59 64 0 0 0 0 0 0 0 0999 V2000 2.3802 2.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6657 2.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6657 3.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3802 4.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0947 3.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0947 2.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9513 2.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2368 2.8613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4777 2.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4777 1.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2368 1.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9513 1.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1921 2.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9066 2.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9066 1.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1921 1.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2368 0.5232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6211 2.8613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6657 1.2113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1921 0.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8092 4.0988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3802 4.9238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5677 1.2422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2844 2.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8238 -0.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1112 -1.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4786 -0.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2802 -0.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5676 0.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0222 -0.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4214 -0.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2679 -1.2012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8176 -1.3627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4231 -0.9199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1239 0.3578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0725 -0.1575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1062 -2.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4012 -2.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1988 -2.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0038 -2.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2988 -1.7909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3013 -2.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7631 -2.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4134 -2.3191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5997 -3.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0242 -3.1353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1241 -2.8036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7244 -3.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 -4.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0994 -3.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5114 -4.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3353 -4.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7478 -3.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5728 -3.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9853 -4.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5728 -4.9238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7478 -4.9238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8092 -4.2094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9847 -2.7814 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 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 15 23 1 0 0 0 0 18 24 1 0 0 0 0 25 26 1 1 0 0 0 26 27 1 1 0 0 0 28 27 1 1 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 25 1 0 0 0 0 30 31 1 0 0 0 0 25 32 1 0 0 0 0 26 33 1 0 0 0 0 27 34 1 0 0 0 0 31 35 2 0 0 0 0 31 36 1 0 0 0 0 28 19 1 0 0 0 0 37 38 1 1 0 0 0 38 39 1 1 0 0 0 40 39 1 1 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 37 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 37 45 1 0 0 0 0 38 46 1 0 0 0 0 40 34 1 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 48 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 57 52 1 0 0 0 0 55 58 1 0 0 0 0 54 59 1 0 0 0 0 47 39 1 0 0 0 0 S SKP 5 ID FL5FECGS0064 FORMULA C37H36O22 EXACTMASS 832.169822836 AVERAGEMASS 832.66854 SMILES O(C1OC(C5=O)=C(c(c6)cc(c(c6)O)O)Oc(c54)cc(c(c4O)O)OC)C(C(C(C1OC(O2)C(OC(=O)C=Cc(c3)ccc(c(O)3)O)C(O)C(O)C2CO)O)O)C(O)=O M END