Mol:FL5FACGL0034
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 54 59 0 0 0 0 0 0 0 0999 V2000 -2.0380 0.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0380 -0.0629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3368 -0.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6357 -0.0629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6357 0.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3368 1.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0654 -0.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7665 -0.0629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7665 0.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0654 1.1515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0654 -1.0989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4674 1.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1818 0.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8964 1.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8964 1.9764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1818 2.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4674 1.9764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7388 1.1513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -0.4527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3368 -1.2770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6953 2.4377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -1.6111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1034 -1.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3366 -2.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1034 -2.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -3.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6051 -2.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7727 -0.8868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2086 -2.8719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6644 -3.8168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5227 -0.3619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0803 -1.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8833 -0.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6580 -0.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0950 -0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3926 -0.5848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4601 -1.0796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6540 -1.2706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0475 -0.5116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1818 3.2139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3800 1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5882 0.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8395 1.8682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5882 2.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3800 3.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1289 2.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9727 3.8890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5689 3.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7778 2.7883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0475 1.4513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8234 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5871 1.2479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9615 -3.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2911 -3.7502 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 8 19 1 0 0 0 0 3 20 1 0 0 0 0 21 15 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 23 19 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 32 37 1 0 0 0 0 33 38 1 0 0 0 0 28 31 1 0 0 0 0 34 39 1 0 0 0 0 16 40 1 0 0 0 0 42 41 1 1 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 1 0 0 0 46 41 1 1 0 0 0 45 47 1 0 0 0 0 44 48 1 0 0 0 0 46 49 1 0 0 0 0 41 50 1 0 0 0 0 42 18 1 0 0 0 0 51 52 1 0 0 0 0 35 51 1 0 0 0 0 53 54 1 0 0 0 0 25 53 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 51 52 M SBL 1 1 57 M SMT 1 CH2OH M SBV 1 57 -0.7284 -0.2241 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 53 54 M SBL 2 1 59 M SMT 2 ^ CH2OH M SBV 2 59 0.1419 1.0660 S SKP 5 ID FL5FACGL0034 FORMULA C33H40O21 EXACTMASS 772.206208342 AVERAGEMASS 772.6581 SMILES O(C(C)1)C(Oc(c6)cc(c(c56)C(C(=C(O5)c(c4)cc(c(c4)O)O)OC(O3)C(C(C(O)C3CO)O)OC(C2O)OC(CO)C(C2O)O)=O)O)C(O)C(O)C1O M END