Mol:FL3FAACS0017
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 40 44 0 0 0 0 0 0 0 0999 V2000 -1.5249 -0.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5249 -1.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8104 -2.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0959 -1.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0959 -0.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8104 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6185 -2.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3330 -1.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3330 -0.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6185 -0.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6199 -2.8790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2392 -0.4401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5722 2.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2715 1.8361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4099 0.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8116 0.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.4405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 1.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 2.5671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2331 0.6628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8104 -2.9147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1267 -0.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8796 -0.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6325 -0.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6325 0.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8796 0.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1267 0.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3850 0.8903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1494 1.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6148 0.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8220 0.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2349 1.4284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3103 1.8067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6148 0.2533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7975 0.2049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6785 2.9147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1645 2.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3850 1.8230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7886 1.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3184 0.6331 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 1 12 1 0 0 0 0 13 14 1 1 0 0 0 14 15 1 1 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 13 1 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 6 16 1 0 0 0 0 3 21 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 22 1 0 0 0 0 22 9 1 0 0 0 0 25 28 1 0 0 0 0 29 30 1 1 0 0 0 30 31 1 1 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 29 1 0 0 0 0 30 34 1 0 0 0 0 31 35 1 0 0 0 0 32 20 1 0 0 0 0 13 36 1 0 0 0 0 37 38 1 0 0 0 0 29 37 1 0 0 0 0 39 40 1 0 0 0 0 18 39 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 37 38 M SBL 1 1 42 M SMT 1 ^ CH2OH M SBV 1 42 0.0151 -0.8526 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 39 40 M SBL 2 1 44 M SMT 2 CH2OH M SBV 2 44 -0.7556 -0.2715 S SKP 5 ID FL3FAACS0017 FORMULA C26H28O14 EXACTMASS 564.147905604 AVERAGEMASS 564.49212 SMILES C(O)C(C(O)1)OC(OC(C(O)5)C(OC(C5O)CO)c(c23)c(cc(c(C(C=C(c(c4)ccc(O)c4)O3)=O)2)O)O)C(O)1 M END