Mol:FL1AAAGM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.0398 0.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0398 1.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7542 1.6911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4685 1.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4685 0.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7542 0.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2552 0.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2296 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2552 1.5335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1829 1.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0536 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 0.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2931 0.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7063 0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2931 1.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 1.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5312 0.8662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0566 -0.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7542 2.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7247 -1.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -1.4977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8116 -1.2952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3959 -0.6930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1187 -1.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3091 -1.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5312 -0.3957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8468 -0.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1060 -1.5263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9827 -2.5160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7542 -0.7107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 4 10 1 0 0 0 0 8 11 2 0 0 0 0 11 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 15 18 1 0 0 0 0 7 19 2 0 0 0 0 3 20 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 26 21 1 1 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 26 29 1 0 0 0 0 21 30 1 0 0 0 0 6 31 1 0 0 0 0 31 22 1 0 0 0 0 S SKP 5 ID FL1AAAGM0001 FORMULA C22H22O9 EXACTMASS 430.126382302 AVERAGEMASS 430.40468000000004 SMILES C(O)(C4C)C(C(C(O4)Oc(c3)c(c(c(C)c3O)1)c(c(=Cc(c2)ccc(c2)O)o1)=O)O)O M END