Mol:FL3FAHGS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 38 0 0 0 0 0 0 0 0999 V2000 2.4709 1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4709 0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1853 -0.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8998 0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8998 1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1853 1.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7564 -0.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0419 0.2380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3274 -0.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3274 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0419 -1.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7564 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3869 0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1015 -0.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1015 -0.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3869 -1.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0419 -2.1302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8159 0.2380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3869 -2.0979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4317 1.3701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1853 2.1302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5128 -0.1159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2038 0.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6161 0.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2036 0.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4055 0.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6123 0.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0247 0.8388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8229 0.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2364 1.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2038 0.6757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9001 0.2396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8397 -0.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9107 1.7405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8749 1.1763 0.0000 O 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 16 19 1 0 0 0 0 5 20 1 0 0 0 0 6 21 1 0 0 0 0 4 22 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 24 1 0 0 0 0 29 30 1 0 0 0 0 24 31 1 0 0 0 0 25 32 1 0 0 0 0 26 33 1 0 0 0 0 30 34 2 0 0 0 0 30 35 1 0 0 0 0 27 18 1 0 0 0 0 S SKP 5 ID FL3FAHGS0003 FORMULA C22H20O13 EXACTMASS 492.090390726 AVERAGEMASS 492.3864 SMILES c(c1)(OC)c(c(cc(C(O4)=CC(c(c34)c(cc(c3)OC(O2)C(O)C(C(O)C2C(O)=O)O)O)=O)1)O)O M END