Mol:FL3FCACS0013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 41 45 0 0 0 0 0 0 0 0999 V2000 -1.2196 -0.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2196 -1.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5051 -2.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2093 -1.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2093 -0.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5051 -0.5187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9238 -2.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6382 -1.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6382 -0.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9238 -0.5187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9238 -2.8119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2989 2.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0767 2.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7468 1.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7379 0.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1428 1.0027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5346 1.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4518 2.6078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1214 2.9933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2521 0.4914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5051 -2.9933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5114 -0.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2643 -0.8211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0172 -0.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0172 0.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2643 0.9176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5114 0.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7696 0.9174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7352 0.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3750 0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6526 0.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9990 0.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3894 0.7945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0359 0.5867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3936 0.7646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0498 0.2932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0485 -0.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7769 -0.5943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6850 -1.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6273 1.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7696 1.8771 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 12 13 1 1 0 0 0 13 14 1 1 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 6 15 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 9 22 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 34 1 0 0 0 0 34 29 1 0 0 0 0 29 35 1 0 0 0 0 30 36 1 0 0 0 0 31 37 1 0 0 0 0 32 20 1 0 0 0 0 38 39 1 0 0 0 0 1 38 1 0 0 0 0 40 41 1 0 0 0 0 34 40 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 38 39 M SBL 1 1 43 M SMT 1 ^ OCH3 M SBV 1 43 0.5573 -0.3370 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 40 41 M SBL 2 1 45 M SMT 2 ^ CH2OH M SBV 2 45 0.5914 -0.7033 S SKP 5 ID FL3FCACS0013 FORMULA C27H30O14 EXACTMASS 578.163555668 AVERAGEMASS 578.5187000000001 SMILES O=C(c25)C=C(Oc2c(c(OC)cc5O)C(O4)C(C(O)C(C4)O)OC(O3)C(O)C(O)C(C3CO)O)c(c1)ccc(O)c1 M END