Mol:FL3FACGS0070
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 58 63 0 0 0 0 0 0 0 0999 V2000 1.4110 -1.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1254 -1.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1254 -0.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 -0.0512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6965 -0.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6965 -1.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8399 -1.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5543 -1.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5543 -0.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8399 -0.0512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3338 -0.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0697 -0.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8056 -0.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8056 0.8361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0697 1.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3338 0.8361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0697 1.8763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3978 1.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8399 -2.3763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 -2.3581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 0.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8656 0.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3941 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5164 -0.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6346 -0.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1061 0.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9839 0.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3266 0.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1260 1.3854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8399 1.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8399 2.4968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4380 1.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0361 1.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6515 1.4628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0361 2.4758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1958 -0.1364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0043 -0.8036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0512 -1.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1702 -1.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7097 -1.1308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9122 -0.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7933 -0.4518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2539 -1.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6855 0.2483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9336 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3978 -1.6390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2362 -2.3726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6547 -2.4027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9502 -1.3343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9842 -1.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9842 -2.4742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6281 -2.4968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2069 -1.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4025 -1.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6281 -1.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 -1.2334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9842 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4189 -0.9158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 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 3 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 15 17 1 0 0 0 0 14 18 1 0 0 0 0 7 19 2 0 0 0 0 1 20 1 0 0 0 0 5 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 21 25 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 38 39 1 1 0 0 0 39 40 1 1 0 0 0 41 40 1 1 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 38 1 0 0 0 0 22 44 1 0 0 0 0 44 41 1 0 0 0 0 43 45 1 0 0 0 0 45 46 1 0 0 0 0 38 47 1 0 0 0 0 39 48 1 0 0 0 0 40 49 1 0 0 0 0 55 50 1 1 0 0 0 54 50 1 1 0 0 0 53 55 1 1 0 0 0 50 51 1 0 0 0 0 55 52 1 0 0 0 0 56 53 1 0 0 0 0 54 56 1 0 0 0 0 53 37 1 0 0 0 0 50 57 1 0 0 0 0 57 58 1 0 0 0 0 S SKP 5 ID FL3FACGS0070 FORMULA C35H40O23 EXACTMASS 828.196037586 AVERAGEMASS 828.6783 SMILES C(C(OC(C6O)OCC6(O)CO)1)(C(OC(O5)C(O)C(C(O)C(CO)5)O)C(OC1Oc(c4)cc(c(c34)C(=O)C=C(O3)c(c2)ccc(O)c2O)O)COC(CC(O)=O)=O)O M END