Mol:FLIAABGS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 41 45 0 0 0 0 0 0 0 0999 V2000 -0.7298 1.4107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0447 1.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6833 1.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4108 1.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4108 0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1657 -0.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9203 0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9203 1.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1657 1.6151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0445 0.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6833 -0.0811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1707 -0.9606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6747 -0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6747 -0.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3960 -1.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1177 -0.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1177 -0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3960 0.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3172 1.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8138 0.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0888 1.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3332 1.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8976 1.6506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6381 1.3845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8595 1.2768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4350 0.8593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5099 0.7135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1405 1.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4655 1.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9621 1.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2370 1.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4815 1.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0460 2.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7864 1.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8856 1.8338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6447 1.2887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6118 1.1022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8156 1.8229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6696 -0.9195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7524 -1.4080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8856 -2.0624 0.0000 C 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 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 10 11 2 0 0 0 0 11 5 1 0 0 0 0 6 12 2 0 0 0 0 7 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 1 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 24 28 1 0 0 0 0 22 1 1 0 0 0 0 29 30 1 1 0 0 0 30 31 1 1 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 29 1 0 0 0 0 29 35 1 0 0 0 0 30 36 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 38 28 1 0 0 0 0 11 39 1 0 0 0 0 40 41 1 0 0 0 0 16 40 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 40 41 M SBL 1 1 45 M SMT 1 OCH3 M SBV 1 45 -0.6347 0.4473 S SKP 5 ID FLIAABGS0004 FORMULA C27H30O14 EXACTMASS 578.163555668 AVERAGEMASS 578.5187000000001 SMILES OC(C(COC(O5)C(O)C(C(O)C5)O)4)C(C(C(O4)Oc(c3)cc(c(c32)C(=O)C(=CO2)c(c1)ccc(OC)c1)O)O)O M END