Mol:FL5FACGS0121
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 74 81 0 0 0 0 0 0 0 0999 V2000 3.1314 2.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4169 2.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4169 3.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1314 3.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8458 3.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8458 2.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7024 2.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 2.4996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2735 2.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2735 1.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 0.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7024 1.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 2.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1555 2.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1555 1.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 0.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 0.1888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8699 2.4996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3014 0.8166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 0.1229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4377 3.6663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1314 4.4629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4835 1.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8961 1.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1026 1.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3043 1.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8916 1.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6851 1.6758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3089 0.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5774 0.7939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4377 1.3154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0956 1.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 -1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3082 -1.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 -0.6715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0984 -0.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2733 -0.1013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0673 -0.9004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2152 -0.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4242 -1.2187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4267 -1.1062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8933 -2.2403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3163 -0.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4094 -2.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 -3.7961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4144 -2.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8155 -3.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6392 -3.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0626 -3.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 -3.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2891 -3.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8657 -4.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0408 -4.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1128 -3.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2879 -2.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6876 -2.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9023 -2.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4932 -1.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0936 -0.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8787 -1.5617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0438 -1.7818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1243 -2.7965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2840 -3.2492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1129 -2.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7196 -0.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5449 -0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9552 -0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7422 -1.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -1.6983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5065 -1.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3086 -1.9638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5788 -1.0587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6866 0.2241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1649 0.1275 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 23 24 1 0 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 26 29 1 0 0 0 0 25 30 1 0 0 0 0 24 31 1 0 0 0 0 23 32 1 0 0 0 0 27 18 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 39 40 1 0 0 0 0 33 41 1 0 0 0 0 34 42 1 0 0 0 0 35 43 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 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 48 1 0 0 0 0 51 54 1 0 0 0 0 42 44 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 55 1 0 0 0 0 58 61 1 0 0 0 0 57 62 1 0 0 0 0 56 63 1 0 0 0 0 55 64 1 0 0 0 0 59 43 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 1 0 0 0 68 67 1 1 0 0 0 69 68 1 1 0 0 0 69 70 1 0 0 0 0 70 65 1 0 0 0 0 68 71 1 0 0 0 0 67 72 1 0 0 0 0 66 73 1 0 0 0 0 65 74 1 0 0 0 0 69 40 1 0 0 0 0 36 19 1 0 0 0 0 S SKP 5 ID FL5FACGS0121 FORMULA C48H56O26 EXACTMASS 1048.305981964 AVERAGEMASS 1048.94264 SMILES O(C(C(O)8)OC(C)C(O)C(O)8)c(c1)cc(O6)c(C(C(=C6c(c7)ccc(O)c(O)7)OC(C(OC(O5)C(O)C(O)C(C5C)O)2)OC(COC(C(O)4)OC(C)C(O)C4O)C(O)C2OC(=O)C=Cc(c3)ccc(O)c3)=O)c1O M END
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