Mol:FL5FACGA0018
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 52 57 0 0 0 0 0 0 0 0999 V2000 -2.9424 2.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9424 1.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2278 0.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5134 1.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5134 2.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2278 2.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7989 0.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0845 1.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0845 2.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7989 2.6055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7989 0.3124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6088 2.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 2.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0652 2.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0652 3.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 3.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6088 3.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2278 0.3242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8445 3.9726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7020 0.9020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7957 2.6858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1776 -0.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4067 0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7657 -0.5088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6815 -1.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4525 -1.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0936 -0.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0938 0.5927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5016 -1.1080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -1.2537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9701 -1.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5682 1.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2294 0.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1306 0.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7957 1.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6820 1.6858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2294 1.1925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1306 1.1734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5384 -2.4369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 -3.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0936 -4.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3661 -3.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4431 -3.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7199 -3.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0077 -3.3930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7195 -4.4196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7602 -3.9197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -3.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4431 -4.5637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 4.5637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1306 0.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4161 -0.2961 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 20 8 1 0 0 0 0 4 3 1 0 0 0 0 1 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 25 31 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 32 1 0 0 0 0 33 37 1 0 0 0 0 34 38 1 0 0 0 0 28 32 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 1 0 0 0 42 43 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 40 1 0 0 0 0 44 39 1 0 0 0 0 42 46 1 0 0 0 0 41 47 1 0 0 0 0 40 48 1 0 0 0 0 43 49 1 0 0 0 0 39 31 1 0 0 0 0 16 50 1 0 0 0 0 23 20 1 0 0 0 0 34 51 1 0 0 0 0 51 52 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 51 52 M SBL 1 1 56 M SMT 1 CH2OH M SBV 1 56 0.0000 0.5604 S SKP 5 ID FL5FACGA0018 FORMULA C32H38O20 EXACTMASS 742.1956436559999 AVERAGEMASS 742.63212 SMILES c(c6O)(O)cc(cc6)C(=C2OC(C4OC(O5)C(C(O)(CO)C5)O)OC(C(C(O)4)O)COC(C(O)3)OC(C)C(O)C(O)3)Oc(c1)c(C2=O)c(cc(O)1)O M END
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