Mol:FL5FACGS0016
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -0.7330 -0.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7330 -1.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0185 -1.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6961 -1.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6961 -0.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0185 0.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4106 -1.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1251 -1.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1251 -0.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4106 0.1297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4106 -2.2315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8394 0.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5677 -0.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2960 0.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2960 0.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5677 1.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8394 0.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4473 0.1295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0185 -2.2128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9180 1.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8394 -1.5203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9827 0.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5059 -0.5597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8194 -0.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1570 -0.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6383 0.1960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2390 -0.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7650 -0.2097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1859 -0.5148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1495 -0.6794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5677 2.2315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8584 0.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9180 0.4983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3285 1.4160 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 3 19 1 0 0 0 0 20 15 1 0 0 0 0 8 21 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 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 18 1 0 0 0 0 16 31 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 27 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 32 33 34 M SBL 1 1 37 M SMT 1 ^COOH M SBV 1 37 0.6193 -0.6193 S SKP 5 ID FL5FACGS0016 FORMULA C21H18O13 EXACTMASS 478.07474066199995 AVERAGEMASS 478.35982 SMILES c(c3)(OC(C(O)4)OC(C(O)=O)C(O)C4O)cc(c1c3O)OC(c(c2)cc(c(O)c2)O)=C(C(=O)1)O M END