Mol:FL5FACGS0025
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 44 48 0 0 0 0 0 0 0 0999 V2000 -4.6473 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6473 -0.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9329 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2185 -0.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2185 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9329 0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5041 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7896 -0.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7896 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5041 0.3018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5041 -1.9912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8900 0.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1619 0.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5663 0.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5663 1.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1619 1.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8900 1.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9329 -2.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3456 1.7514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2829 0.3018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1261 -1.3907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1619 2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1215 -0.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5077 -1.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2353 -1.3855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9827 -1.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6009 -0.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -1.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0574 -0.6261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2748 -1.0464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8086 -0.1636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5989 -0.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2590 -0.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9978 0.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2626 0.5258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7192 -0.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0523 -0.8553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0936 -0.2014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2829 0.4941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0971 -0.4270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9397 0.9437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9397 2.0031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6969 -1.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6970 -2.5624 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 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 20 1 1 0 0 0 0 21 8 1 0 0 0 0 4 3 1 0 0 0 0 16 22 1 0 0 0 0 23 24 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 23 1 0 0 0 0 28 29 1 0 0 0 0 27 30 1 0 0 0 0 21 24 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 31 30 1 0 0 0 0 34 39 1 0 0 0 0 23 40 1 0 0 0 0 41 42 1 0 0 0 0 35 41 1 0 0 0 0 43 44 1 0 0 0 0 26 43 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 41 42 M SBL 1 1 46 M SMT 1 CH2OH M SBV 1 46 -0.6771 -0.4180 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 43 44 M SBL 2 1 48 M SMT 2 CH2OH M SBV 2 48 -0.7143 -0.0948 S SKP 5 ID FL5FACGS0025 FORMULA C27H30O17 EXACTMASS 626.148299534 AVERAGEMASS 626.5169000000001 SMILES c(c(O)5)cc(cc5O)C(=C1OC(C(O)3)OC(C(OC(O4)C(O)C(O)C(O)C4CO)C3O)CO)Oc(c2)c(c(O)cc2O)C1=O M END