Mol:FL5FECGS0041
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 47 51 0 0 0 0 0 0 0 0999 V2000 -1.7939 0.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7939 0.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0793 -0.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3648 0.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3648 0.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0793 1.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3497 -0.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0644 0.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0644 0.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3497 1.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3497 -1.0597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9640 1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6923 1.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4206 1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4206 2.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6923 2.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9640 2.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0793 -1.0830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 2.8416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4516 1.3332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8590 -0.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6064 -1.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2941 -2.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0758 -1.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2941 -0.5105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6064 -0.1135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8246 -0.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6678 -0.8770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5989 -2.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1923 -2.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5705 -1.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8066 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1320 1.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3461 1.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1320 2.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8066 3.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5926 2.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5812 3.6985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1320 3.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2599 2.9086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4164 1.5716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6923 3.6528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8267 -3.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4164 -2.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8311 -3.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4697 -0.2358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5521 -0.7657 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 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 3 18 1 0 0 0 0 19 15 1 0 0 0 0 4 3 1 0 0 0 0 1 20 1 0 0 0 0 21 8 1 0 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 27 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 26 21 1 0 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 1 0 0 0 37 32 1 1 0 0 0 36 38 1 0 0 0 0 35 39 1 0 0 0 0 37 40 1 0 0 0 0 32 41 1 0 0 0 0 20 33 1 0 0 0 0 16 42 1 0 0 0 0 30 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 46 47 1 0 0 0 0 2 46 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 46 47 M SBL 1 1 51 M SMT 1 ^OCH3 M SBV 1 51 0.6758 0.3902 S SKP 5 ID FL5FECGS0041 FORMULA C30H34O17 EXACTMASS 666.179599662 AVERAGEMASS 666.58076 SMILES O(c31)C(c(c5)ccc(O)c5O)=C(OC(O4)C(C(O)C(C4C)OC(C)=O)O)C(=O)c1c(O)c(c(c3)OC(O2)C(O)C(O)C(C2C)O)OC M END