Mol:FL3FAAGS0044
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 37 40 0 0 0 0 0 0 0 0999 V2000 0.6483 0.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6483 -0.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3496 -1.1127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0508 -0.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0508 0.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3496 0.5068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7521 -1.1127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4533 -0.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4533 0.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7521 0.5068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7521 -1.7441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1543 0.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8690 0.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5837 0.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5837 1.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8690 1.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1543 1.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0527 0.5066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2982 1.7444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3496 -1.7445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7767 0.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2055 0.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6577 -0.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8686 -0.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0033 -0.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6606 0.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4665 0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8338 0.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2543 -0.4181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2838 -0.6960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7767 -0.6612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5605 0.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5605 1.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2617 0.1663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1414 0.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2982 1.3360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1296 1.5877 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 1 18 1 0 0 0 0 15 19 1 0 0 0 0 20 3 1 0 0 0 0 21 18 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 21 31 2 0 0 0 0 21 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 34 25 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 27 35 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 35 36 37 M SBL 1 1 40 M SMT 1 ^ COOH M SBV 1 40 0.6749 -0.6749 S SKP 5 ID FL3FAAGS0044 FORMULA C24H22O13 EXACTMASS 518.10604079 AVERAGEMASS 518.42368 SMILES C(=O)(C=1)c(c3O)c(cc(OC(C(OC(C4O)OC(C(O)=O)C(C(O)4)O)C)=O)c3)OC1c(c2)ccc(c2)O M END