Mol:FL7AAIGL0030
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 51 55 0 0 0 0 0 0 0 0999 V2000 -2.4872 1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7398 1.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7398 2.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4872 2.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2344 2.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2344 1.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9925 1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2452 1.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2452 2.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9925 2.7801 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.4666 2.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1811 2.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8955 2.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8955 3.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1811 3.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4666 3.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 4.0128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8458 2.7015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4872 0.2456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6410 1.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1993 4.6699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7865 5.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6739 2.4075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3729 2.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9841 0.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0199 0.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9220 0.0751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4668 -0.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4310 -0.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5288 -0.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3620 1.1892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5843 -0.0204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8458 -1.1932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2790 -1.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2378 -2.0221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8447 -3.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6561 -4.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4816 -3.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4884 -3.8211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6772 -2.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8517 -3.4107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7083 -4.5255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3277 -4.8695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1148 -3.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8356 -4.2068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1736 -4.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3356 -4.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 -4.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1736 -5.2115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5409 -4.1578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 -5.2570 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 2 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 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 14 17 1 0 0 0 0 5 18 1 0 0 0 0 1 19 1 0 0 0 0 8 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 13 23 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 28 27 1 1 0 0 0 29 28 1 1 0 0 0 29 30 1 0 0 0 0 30 25 1 0 0 0 0 20 26 1 0 0 0 0 25 31 1 0 0 0 0 30 32 1 0 0 0 0 29 33 1 0 0 0 0 28 34 1 0 0 0 0 34 35 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 1 0 0 0 39 38 1 1 0 0 0 40 39 1 1 0 0 0 40 41 1 0 0 0 0 41 36 1 0 0 0 0 35 40 1 0 0 0 0 39 42 1 0 0 0 0 38 43 1 0 0 0 0 36 44 1 0 0 0 0 37 45 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 46 49 2 0 0 0 0 48 50 1 0 0 0 0 48 51 2 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 10 1 S SKP 5 ID FL7AAIGL0030 FORMULA C32H37O19 EXACTMASS 725.192904002 AVERAGEMASS 725.6247800000001 SMILES OC(C(O)1)C(OC(CC(O)=O)=O)C(OC1OCC(C(O)2)OC(Oc(c4c(c5)cc(OC)c(c(OC)5)O)cc(c([o+1]4)3)c(O)cc(c3)O)C(O)C(O)2)C M END