Mol:FL63AGGC0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 75 82 0 0 0 0 0 0 0 0999 V2000 -2.6144 0.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2433 -0.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7088 -0.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1930 -0.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5678 0.1909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0354 -0.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1283 -0.2040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8219 -0.4255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4025 -0.7036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6158 0.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6158 1.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2085 1.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7644 1.1890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1897 2.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6062 2.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6062 3.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1897 3.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7732 3.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7732 2.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3567 3.5122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1897 4.1860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0228 3.5122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4025 -1.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9638 -1.5603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8989 -1.5936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4419 -1.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9849 -1.5936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9849 -2.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4419 -2.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8989 -2.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5267 -1.2808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5267 -2.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4419 -3.1596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6930 0.1048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1854 -0.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1854 -0.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3731 -1.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9316 -0.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9316 -0.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3731 0.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4902 -1.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0487 -0.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0487 -0.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4902 0.1342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6072 0.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1859 -0.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7646 0.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7646 0.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1859 1.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6072 0.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1859 1.8034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3421 1.1359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3421 -0.1993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6072 -1.1556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2054 -1.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7610 -1.1802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2054 -2.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -2.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -3.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2054 -3.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7815 -3.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7815 -2.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0541 -3.5213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2054 -4.1860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3567 -3.5213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4902 -1.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 -2.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 -2.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4902 -3.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0144 -2.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0144 -2.2498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4902 -3.7628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 -1.9473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5383 -1.9473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3731 -1.6371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 2 3 1 1 0 0 0 4 3 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 6 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 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 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 18 20 1 0 0 0 0 17 21 1 0 0 0 0 16 22 1 0 0 0 0 9 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 25 1 0 0 0 0 27 31 1 0 0 0 0 28 32 1 0 0 0 0 29 33 1 0 0 0 0 4 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 35 1 0 0 0 0 38 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 39 1 0 0 0 0 43 45 1 6 0 0 0 45 46 2 0 0 0 0 46 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 45 1 0 0 0 0 49 51 1 0 0 0 0 48 52 1 0 0 0 0 47 53 1 0 0 0 0 42 54 1 1 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 55 57 1 0 0 0 0 57 58 2 0 0 0 0 58 59 1 0 0 0 0 59 60 2 0 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 62 57 1 0 0 0 0 59 63 1 0 0 0 0 60 64 1 0 0 0 0 61 65 1 0 0 0 0 41 66 1 6 0 0 0 66 67 2 0 0 0 0 67 68 1 0 0 0 0 68 69 2 0 0 0 0 69 70 1 0 0 0 0 70 71 2 0 0 0 0 71 66 1 0 0 0 0 69 72 1 0 0 0 0 67 73 1 0 0 0 0 71 74 1 0 0 0 0 37 75 1 0 0 0 0 S SKP 8 ID FL63AGGC0001 KNApSAcK_ID C00009325 NAME Glochiin C1 CAS_RN 172617-78-6 FORMULA C48H40O27 EXACTMASS 1048.175696074 AVERAGEMASS 1048.815 SMILES Oc(c1)c(O)c(O)cc(C(=O)OC(C(c(c(O)8)c(O)cc(O)c8)2)C(c(c7)cc(c(c7O)O)O)Oc(c3)c2c(O)cc(OC(C5OC(c(c6)cc(c(O)c6O)O)=O)OC(C(O)C5O)COC(c(c4)cc(c(c4O)O)O)=O)3)1 M END