Mol:FL5FADGL0025
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 55 60 0 0 0 0 0 0 0 0999 V2000 -2.0818 0.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0818 -0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3808 -0.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6798 -0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6798 0.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3808 1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0212 -0.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7222 -0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7222 0.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0212 1.0509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0226 -1.3244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4230 1.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1375 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8520 1.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8520 1.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1375 2.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4230 1.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7826 1.0506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 -0.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3808 -1.3773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5734 2.2981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7731 -1.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0387 -1.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2717 -2.0408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0387 -2.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7731 -3.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5401 -2.4698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7696 -0.9252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1880 -2.8850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4345 -4.0404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5735 -0.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1311 -1.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9338 -0.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7084 -0.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1455 -0.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4432 -0.6844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3252 -1.1998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6633 -1.3494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2988 -0.7148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3921 0.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4919 0.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0287 1.3246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0950 2.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9952 2.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4587 1.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7054 3.0966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2804 2.8672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2988 1.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0527 0.4863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9452 -3.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3147 -3.5435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1454 2.9097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7016 4.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9893 -0.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8215 1.0273 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 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 1 18 1 0 0 0 0 8 19 1 0 0 0 0 3 20 1 0 0 0 0 21 15 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 23 19 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 31 28 1 0 0 0 0 34 39 1 0 0 0 0 41 40 1 1 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 1 0 0 0 45 40 1 1 0 0 0 44 46 1 0 0 0 0 43 47 1 0 0 0 0 45 48 1 0 0 0 0 40 49 1 0 0 0 0 41 18 1 0 0 0 0 50 51 1 0 0 0 0 25 50 1 0 0 0 0 52 53 1 0 0 0 0 16 52 1 0 0 0 0 54 55 1 0 0 0 0 35 54 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 50 51 M SBL 1 1 56 M SMT 1 ^ CH2OH M SBV 1 56 0.0935 0.7092 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 52 53 M SBL 2 1 58 M SMT 2 OCH3 M SBV 2 58 -0.0079 -0.6215 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 54 55 M SBL 3 1 60 M SMT 3 CH2OH M SBV 3 60 -0.8438 -0.0922 S SKP 5 ID FL5FADGL0025 FORMULA C34H42O21 EXACTMASS 786.2218584059999 AVERAGEMASS 786.68468 SMILES C(C1O)(C(OC(C2O)C(OC(=C(c(c6)ccc(c6OC)O)5)C(c(c4O5)c(cc(c4)OC(C3O)OC(C(O)C3O)C)O)=O)OC(C2O)CO)OC(C1O)CO)O M END
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