Mol:062a FLIF
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 35 0 0 0 0 0 0 0 0999 V2000 -2.8026 0.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8026 -0.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0882 -1.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3737 -0.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3737 0.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0882 0.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6592 -1.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0552 -0.7698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0552 0.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6592 0.4676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6592 -2.0071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5171 0.4676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0882 1.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8024 1.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5171 1.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9296 2.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3421 1.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7697 -0.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0552 0.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7697 1.2926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 0.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 0.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1987 1.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9131 0.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9131 0.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1987 -0.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6276 1.2926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6276 -0.3574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3421 0.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3421 0.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7697 -1.1824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 1 2 2 0 7 11 2 0 1 12 1 0 6 13 1 0 13 14 2 0 12 15 1 0 14 15 1 0 15 16 1 0 15 17 1 0 9 18 1 0 9 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 18 1 0 21 23 1 0 23 24 2 0 24 25 1 0 22 26 1 0 26 25 2 0 24 27 1 0 25 28 1 0 27 29 1 0 28 30 1 0 18 31 2 0 S SKP 5 ID 062a FLIF FORMULA C23H20O8 EXACTMASS 424.11581761599996 AVERAGEMASS 424.4001 SMILES COc(c5)c(OC)cc(c54)C(=O)C(CO4)(O1)Oc(c32)c(ccc(OC(C)(C)C=C3)2)C(=O)1 M END