Mol:FL7AACGL0015
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 51 56 0 0 0 0 0 0 0 0999 V2000 -3.6060 1.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6060 0.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9050 0.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2040 0.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2040 1.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9050 2.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 0.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8020 0.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8020 1.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 2.1946 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 -0.1012 2.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6132 1.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3277 2.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3277 3.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6132 3.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1012 3.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9050 -0.2336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6132 4.2566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0731 0.4345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7522 -0.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0939 -0.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1746 -1.1693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0939 -2.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7522 -2.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4838 -1.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6136 -0.1013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1537 -2.0502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5139 -3.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1683 -2.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3068 2.1943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4216 0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0336 -0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7855 0.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6510 0.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0391 0.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2870 0.4744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3530 -0.1503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3068 0.7109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5605 -0.1803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 3.4317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 -3.3921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0415 -2.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0630 -2.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3289 -2.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0778 -3.9444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0563 -3.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7904 -3.2340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3922 -2.6815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1111 -1.4236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4806 -1.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8870 -4.2566 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 4 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 5 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 3 17 1 0 0 0 0 15 18 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 23 29 1 0 0 0 0 21 19 1 0 0 0 0 19 8 1 0 0 0 0 1 30 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 34 38 1 0 0 0 0 33 39 1 0 0 0 0 31 26 1 0 0 0 0 14 40 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 1 0 0 0 44 45 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 42 1 0 0 0 0 46 41 1 0 0 0 0 44 48 1 0 0 0 0 43 49 1 0 0 0 0 42 50 1 0 0 0 0 45 51 1 0 0 0 0 41 29 1 0 0 0 0 M CHG 1 10 1 S SKP 5 ID FL7AACGL0015 FORMULA C32H39O19 EXACTMASS 727.208554066 AVERAGEMASS 727.64066 SMILES C(C(O)4)(C(OC(O6)C(C(C(C6)O)O)O)C(OC4COC(O5)C(O)C(O)C(C5C)O)Oc(c3)c([o+1]c(c32)cc(cc2O)O)c(c1)cc(O)c(c1)O)O M END