Mol:FL5FADGS0028
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 55 60 0 0 0 0 0 0 0 0999 V2000 3.0560 1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3415 2.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3415 3.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0560 3.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7704 3.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7704 2.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6270 1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9126 2.3559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1981 1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1981 1.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9126 0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6270 1.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5164 2.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2309 1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2309 1.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5164 0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9126 -0.1191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9452 2.3559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3415 0.7059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5164 -0.1191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4849 3.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0560 4.4184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7877 4.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9599 -0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5361 -1.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3331 -0.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1280 -1.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5519 -0.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7548 -0.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2778 -1.7571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8692 -1.4164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1061 -0.9757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2229 -0.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1562 -4.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9533 -3.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9579 -3.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3824 -2.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5852 -2.5730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5805 -3.3983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9133 -3.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1207 -4.8409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6441 -4.5290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6728 -2.7279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4427 -3.1157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0486 -2.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5238 -1.8934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7752 -2.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1871 -3.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0110 -3.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4235 -2.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2485 -2.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6610 -3.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2485 -3.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4235 -3.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4849 -3.2160 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 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 28 27 1 1 0 0 0 28 29 1 0 0 0 0 29 24 1 0 0 0 0 27 30 1 0 0 0 0 26 31 1 0 0 0 0 25 32 1 0 0 0 0 24 33 1 0 0 0 0 28 19 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 39 1 0 0 0 0 39 34 1 0 0 0 0 39 40 1 0 0 0 0 34 41 1 0 0 0 0 35 42 1 0 0 0 0 36 43 1 0 0 0 0 37 30 1 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 45 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 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 49 1 0 0 0 0 52 55 1 0 0 0 0 44 40 1 0 0 0 0 S SKP 5 ID FL5FADGS0028 FORMULA C37H38O18 EXACTMASS 770.205814412 AVERAGEMASS 770.6868199999999 SMILES C(=Cc(c6)ccc(c6)O)C(OCC(O1)C(O)C(O)C(O)C1OC(C(OC(=C(c(c5)ccc(O)c(OC)5)4)C(c(c3O)c(O4)cc(c3)O)=O)2)C(C(O)C(C)O2)O)=O M END