Mol:FL5FACGS0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 38 0 0 0 0 0 0 0 0999 V2000 -3.7191 -0.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7191 -1.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0179 -1.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3168 -1.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3168 -0.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0179 0.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6157 -1.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9146 -1.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9146 -0.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6157 0.1627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6157 -2.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2138 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5007 -0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2153 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2153 0.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5007 1.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2138 0.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4199 0.1626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2014 -1.4621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1785 -0.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -1.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6294 -1.4354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5747 -1.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0633 -0.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1237 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3047 -1.0221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 -0.5393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8928 -1.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9297 1.4002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0179 -2.1859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5007 2.2252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7586 -2.2252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4199 -2.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4138 -1.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1491 -0.7917 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 20 21 1 0 0 0 0 21 22 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 21 19 1 0 0 0 0 19 8 1 0 0 0 0 23 22 1 1 0 0 0 15 29 1 0 0 0 0 3 30 1 0 0 0 0 16 31 1 0 0 0 0 32 33 1 0 0 0 0 34 35 2 0 0 0 0 23 34 1 0 0 0 0 32 34 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 34 35 M SBL 1 2 37 38 M SMT 1 CO M SBV 1 37 -0.8392 -0.1769 M SBV 1 38 0.3448 -0.6983 S SKP 5 ID FL5FACGS0009 FORMULA C22H20O13 EXACTMASS 492.090390726 AVERAGEMASS 492.3864 SMILES O=C(C(O1)C(O)C(O)C(O)C(OC(C3=O)=C(c(c4)cc(c(O)c4)O)Oc(c32)cc(cc2O)O)1)OC M END