Mol:FL3FADGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -0.2349 -0.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2349 -1.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4662 -2.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1673 -1.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1673 -0.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4662 -0.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8682 -2.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5693 -1.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5693 -0.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8682 -0.5451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1351 -2.7357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2701 -0.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9846 -0.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6991 -0.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6991 0.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9846 0.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2701 0.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4662 -2.9718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6358 0.3197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9344 -0.5459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8785 -0.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0771 -1.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9231 -0.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8097 -0.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6188 -0.1516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6284 -0.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6358 -0.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0363 -1.4632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0543 -1.5480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 1.5397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9453 2.9718 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 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 19 15 1 0 0 0 0 1 20 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 30 31 1 0 0 0 0 16 30 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 -0.3571 -0.8474 S SKP 5 ID FL3FADGS0002 FORMULA C21H20O10 EXACTMASS 432.10564686 AVERAGEMASS 432.37749999999994 SMILES c(c1)(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(C(O)C2)O)cc(c(O)c1)OC M END