Mol:FLIA2CGS0004
Copyright: ARM project http://www.metabolome.jp/
46 50 0 0 0 0 0 0 0 0999 V2000 -0.6789 1.0715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1226 0.7503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4337 1.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9898 0.7504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9898 0.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5665 -0.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1432 0.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1432 0.7504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5665 1.0834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1224 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4337 -0.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5665 -0.9140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7196 -0.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7196 -0.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2709 -1.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8223 -0.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8223 -0.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2709 0.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7828 0.8677 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4366 0.4107 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9380 0.6046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4183 0.5989 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8065 0.9595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3158 0.7766 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1698 1.0912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9147 0.1589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6523 0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2026 -1.1600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6955 -1.4279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3256 -1.0415 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8523 -0.8270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3564 -0.6642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7407 -1.0452 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6224 -1.3128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8098 -1.9560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8640 -1.3554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6883 -1.3849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 -1.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3736 0.0701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0881 -0.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5854 1.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9472 2.2736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8369 0.2004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8369 -0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2923 -0.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2567 -0.7649 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 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 4 1 0 0 0 0 2 10 1 0 0 0 0 10 11 2 0 0 0 0 11 5 1 0 0 0 0 6 12 2 0 0 0 0 7 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 1 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 1 1 0 0 0 0 28 29 1 1 0 0 0 29 30 1 1 0 0 0 31 30 1 1 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 28 1 0 0 0 0 28 34 1 0 0 0 0 29 35 1 0 0 0 0 30 36 1 0 0 0 0 31 26 1 0 0 0 0 16 37 1 0 0 0 0 37 38 1 0 0 0 0 17 39 1 0 0 0 0 39 40 1 0 0 0 0 24 41 1 0 0 0 0 41 42 1 0 0 0 0 10 43 1 0 0 0 0 43 44 1 0 0 0 0 33 45 1 0 0 0 0 45 46 1 0 0 0 0
M STY 1 5 SUP M SLB 1 5 5 M SAL 5 2 45 46 M SBL 5 1 49 M SMT 5 CH2OH M SVB 5 49 -4.5035 0.3693 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 41 42 M SBL 4 1 45 M SMT 4 CH2OH M SVB 4 45 -2.5854 1.5037 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 43 44 M SBL 3 1 47 M SMT 3 OCH3 M SVB 3 47 -0.8369 0.2004 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 39 40 M SBL 2 1 43 M SMT 2 OCH3 M SVB 2 43 4.3736 0.0701 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 37 38 M SBL 1 1 41 M SMT 1 OCH3 M SVB 1 41 4.0164 -1.0912 S SKP 13
ID FLIA2CGS0004
FORMULA C30H36O16
EXACTMASS 652.200335104
AVERAGEMASS 652.59724
SMILES O(C5CO)[C@H]([C@@H](O)[C@H]([C@@H](O)5)O)O[C@H]([C@H](O)1)[C@@H](O)C(CO)O[C@H]1Oc(c(OC)4)cc(c3c4)OC=C(C3=O)c(c2)cc(c(c2)OC)OC
