Mol:FL3FAKGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 0 0 0 0 0 0999 V2000 -1.4798 -0.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4798 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7789 -2.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0778 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0778 -0.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7789 -0.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6232 -2.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3241 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3241 -0.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6232 -0.4775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6232 -2.8854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0248 -0.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7394 -0.8903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4538 -0.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4538 0.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7394 0.7597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0248 0.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7789 -2.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1680 -0.8902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 -0.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7226 0.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6071 0.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7505 -0.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0712 -0.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2785 0.3003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1412 0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5206 1.0258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2319 0.4313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3861 -0.9349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7394 1.4722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3430 2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1746 0.7501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5206 1.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2971 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3847 2.5175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2246 1.6150 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 3 18 1 0 0 0 0 14 19 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 20 1 0 0 0 0 20 1 1 0 0 0 0 30 31 1 0 0 0 0 16 30 1 0 0 0 0 32 33 1 0 0 0 0 15 32 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 26 34 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 34 M SMT 1 OCH3 M SBV 1 34 0.0000 -0.7125 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 32 33 M SBL 2 1 36 M SMT 2 OCH3 M SBV 2 36 -0.7208 -0.4029 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 3 34 35 36 M SBL 3 1 39 M SMT 3 ^ COOH M SBV 3 39 0.1559 -0.9771 S SKP 5 ID FL3FAKGS0001 FORMULA C23H22O13 EXACTMASS 506.10604078999995 AVERAGEMASS 506.41298000000006 SMILES OC(C4C(O)=O)C(C(O)C(O4)Oc(c3)cc(c(c3O)1)OC(c(c2)cc(OC)c(OC)c2O)=CC1=O)O M END