Mol:FL3FAEGS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -0.2063 -0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2063 -1.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4946 -1.7756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1957 -1.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1957 -0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4946 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8966 -1.7756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5976 -1.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5976 -0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8966 -0.1567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8966 -2.5632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2983 -0.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0128 -0.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7273 -0.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7273 0.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0128 1.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2983 0.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0128 1.9054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9059 -0.1577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4946 -2.5834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7834 -0.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2225 -0.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4148 -0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6354 -0.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2018 -0.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9084 -0.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5045 -0.4358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0287 -0.8088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5794 -1.1790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4113 0.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1468 1.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0229 1.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4705 1.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5955 0.8543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6755 1.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0229 1.3978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1449 2.2556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4113 0.6982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4705 2.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5114 2.5834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4012 1.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5114 0.4160 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 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 16 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 19 1 0 0 0 0 26 30 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 31 1 0 0 0 0 32 36 1 0 0 0 0 31 37 1 0 0 0 0 35 38 1 0 0 0 0 38 30 1 0 0 0 0 39 40 1 0 0 0 0 33 39 1 0 0 0 0 41 42 1 0 0 0 0 15 41 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 39 40 M SBL 1 1 44 M SMT 1 CH2OH M SBV 1 44 0.0000 -0.8972 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 41 42 M SBL 2 1 46 M SMT 2 OCH3 M SBV 2 46 -0.6739 -0.3891 S SKP 5 ID FL3FAEGS0003 FORMULA C27H30O15 EXACTMASS 594.15847029 AVERAGEMASS 594.5181 SMILES O(CC(O2)C(O)C(C(O)C(Oc(c5)cc(O)c(c45)C(=O)C=C(O4)c(c3)cc(O)c(OC)c3)2)O)C(C(O)1)OC(CO)C1O M END