Mol:FL5FFAGS0018
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 44 48 0 0 0 0 0 0 0 0999 V2000 -1.0211 0.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0211 -0.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3066 -0.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4079 -0.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4079 0.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3066 1.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1225 -0.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 -0.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 0.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1225 1.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1225 -1.3626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7366 1.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4648 0.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1931 1.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1931 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4648 2.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7366 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3066 -1.3746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9725 2.5499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5605 -0.6633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8746 1.1805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3593 1.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8825 0.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1960 0.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5335 0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0149 1.2460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6155 0.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9725 0.9785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6817 0.4535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5729 0.3211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3206 -1.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0084 -2.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7902 -1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0084 -0.8256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3206 -0.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5388 -1.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6041 -1.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3758 -2.6505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8544 -3.0736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3319 -2.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1737 1.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5360 2.4962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3066 1.9181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2539 3.0736 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 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 19 15 1 0 0 0 0 20 8 1 0 0 0 0 4 3 1 0 0 0 0 1 21 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 25 21 1 0 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 1 0 0 0 36 31 1 1 0 0 0 36 37 1 0 0 0 0 31 38 1 0 0 0 0 32 39 1 0 0 0 0 33 40 1 0 0 0 0 35 20 1 0 0 0 0 41 42 1 0 0 0 0 27 41 1 0 0 0 0 43 44 1 0 0 0 0 6 43 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 41 42 M SBL 1 1 46 M SMT 1 ^ CH2OH M SBV 1 46 0.5582 -0.5714 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 43 44 M SBL 2 1 48 M SMT 2 OCH3 M SBV 2 48 0.0000 -0.8178 S SKP 5 ID FL5FFAGS0018 FORMULA C28H32O16 EXACTMASS 624.1690349759999 AVERAGEMASS 624.54408 SMILES C(O5)(C(O)C(O)C(C(C)5)O)OC(=C(c(c4)ccc(c4)O)1)C(=O)c(c3O)c(c(c(c3)OC(C(O)2)OC(CO)C(C2O)O)OC)O1 M END