Mol:FL5FAAGL0103
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 67 73 0 0 0 0 0 0 0 0999 V2000 -3.0520 1.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0520 0.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3425 0.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6330 0.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6330 1.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3425 1.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9235 0.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 0.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 1.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9235 1.7190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9235 -0.5584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6795 1.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4025 1.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1257 1.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1257 2.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4025 3.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6795 2.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3425 -0.7387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8996 3.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8996 1.7986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7806 0.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5759 2.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8516 2.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0814 3.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8516 4.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5759 4.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3462 3.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4870 5.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9146 4.7760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5474 2.8409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4876 3.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1575 3.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7958 3.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4816 3.6846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8480 4.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3126 3.5544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4799 2.9444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7610 3.3079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7420 3.9709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4671 0.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1370 -0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7754 0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4610 0.5416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8274 0.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2921 0.4113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4182 -0.2192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6165 0.1648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7998 0.8732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4175 -1.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6764 -1.5448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2407 -1.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2407 -2.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9909 -2.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9909 -3.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7584 -4.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5260 -3.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5260 -2.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7584 -2.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2928 -4.2217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8147 4.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7610 3.2219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2771 1.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2308 1.6594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 -4.8784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6803 -5.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4440 4.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5358 5.4045 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 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 19 15 1 0 0 0 0 4 3 1 0 0 0 0 1 20 1 0 0 0 0 21 8 1 0 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 24 30 1 0 0 0 0 23 20 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 32 37 1 0 0 0 0 33 38 1 0 0 0 0 34 39 1 0 0 0 0 19 31 1 0 0 0 0 40 41 1 1 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 40 1 0 0 0 0 41 46 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 40 21 1 0 0 0 0 46 49 1 0 0 0 0 49 50 2 0 0 0 0 49 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 58 53 1 0 0 0 0 56 59 1 0 0 0 0 60 61 1 0 0 0 0 27 60 1 0 0 0 0 62 63 1 0 0 0 0 44 62 1 0 0 0 0 64 65 1 0 0 0 0 55 64 1 0 0 0 0 66 67 1 0 0 0 0 35 66 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 60 61 M SBL 1 1 67 M SMT 1 ^ CH2OH M SBV 1 67 0.4685 -0.3597 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 62 63 M SBL 2 1 69 M SMT 2 CH2OH M SBV 2 69 -0.4497 -0.3074 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 64 65 M SBL 3 1 71 M SMT 3 OCH3 M SBV 3 71 -0.0106 0.6565 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 66 67 M SBL 4 1 73 M SMT 4 CH2OH M SBV 4 73 -0.5960 -0.3060 S SKP 5 ID FL5FAAGL0103 FORMULA C43H48O24 EXACTMASS 948.253552464 AVERAGEMASS 948.82682 SMILES C(C(O)6)(OC(=O)C=Cc(c7)ccc(O)c7OC)C(OC(CO)C6O)OC(=C3c(c4)ccc(OC(C(O)5)OC(CO)C(O)C(O)5)c4)C(c(c2O)c(O3)cc(c2)OC(O1)C(C(O)C(C1CO)O)O)=O M END