Mol:FL5FAAGA0016
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 51 56 0 0 0 0 0 0 0 0999 V2000 -3.0945 2.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0945 1.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3835 1.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6726 1.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6726 2.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3835 2.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9616 1.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2506 1.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2506 2.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9616 2.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9616 0.5677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4602 2.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1847 2.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9094 2.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9094 3.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1847 4.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4602 3.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3835 0.6063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8053 2.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6338 4.2144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5169 1.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9348 0.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1918 0.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4276 -0.1486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1918 -0.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9348 -1.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6991 -0.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 0.9191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2556 -0.9957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7900 -1.2441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4214 -1.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1086 -1.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5394 -2.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9684 -3.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1434 -3.2547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3133 -3.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1159 -2.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7092 -2.9831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3142 -2.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5640 -3.3485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6601 -3.8977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3133 -4.2145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3212 1.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9606 0.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8887 0.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5100 1.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3731 1.9504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9606 1.4764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8887 1.4570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8887 0.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8053 0.0947 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 15 20 1 0 0 0 0 8 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 25 31 1 0 0 0 0 31 32 1 0 0 0 0 23 21 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 1 0 0 0 35 36 1 1 0 0 0 37 36 1 1 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 33 39 1 0 0 0 0 34 40 1 0 0 0 0 35 41 1 0 0 0 0 36 42 1 0 0 0 0 37 32 1 0 0 0 0 43 44 1 1 0 0 0 44 45 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 43 1 0 0 0 0 44 48 1 0 0 0 0 43 28 1 0 0 0 0 45 49 1 0 0 0 0 50 51 1 0 0 0 0 45 50 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 50 51 M SBL 1 1 56 M SMT 1 CH2OH M SBV 1 56 0.0000 0.6201 S SKP 5 ID FL5FAAGA0016 FORMULA C32H38O19 EXACTMASS 726.200729034 AVERAGEMASS 726.6327200000001 SMILES OC(C2O)C(OC(OC(C(=O)6)=C(Oc(c65)cc(cc(O)5)O)c(c4)ccc(O)c4)C2OC(C3O)OCC(O)(CO)3)COC(C(O)1)OC(C)C(O)C(O)1 M END