Mol:FL5FAAGL0044
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 53 58 0 0 0 0 0 0 0 0999 V2000 -1.6019 1.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6019 0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8875 -0.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1731 0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1731 1.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8875 1.5871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5413 -0.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2558 0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2558 1.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5413 1.5871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5413 -0.7060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9699 1.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6981 1.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4262 1.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4262 2.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6981 2.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9699 2.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3161 1.5869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 2.8481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0522 -0.1099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8875 -0.8874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6251 -1.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1940 -2.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0231 -1.8837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8572 -2.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2884 -1.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4592 -1.6108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8245 -1.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9847 0.5734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5536 -0.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3827 0.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2168 -0.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6481 0.5734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8189 0.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3093 0.4605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4092 0.9471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3693 0.5101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8657 -0.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1348 -0.6538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6564 -1.9766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5251 -2.5300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8572 -2.8482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1415 1.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6209 0.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8711 1.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0897 1.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6734 1.7747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4393 1.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0401 2.0558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3693 0.9703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3136 0.6601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7133 2.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7958 1.9158 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 15 19 1 0 0 0 0 8 20 1 0 0 0 0 3 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 29 30 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 1 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 29 1 0 0 0 0 29 35 1 0 0 0 0 34 36 1 0 0 0 0 33 37 1 0 0 0 0 32 38 1 0 0 0 0 26 39 1 0 0 0 0 38 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 30 20 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 48 1 0 0 0 0 48 43 1 0 0 0 0 43 49 1 0 0 0 0 44 50 1 0 0 0 0 45 51 1 0 0 0 0 46 18 1 0 0 0 0 52 53 1 0 0 0 0 48 52 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 52 53 M SBL 1 1 58 M SMT 1 ^CH2OH M SBV 1 58 0.2740 -0.9460 S SKP 5 ID FL5FAAGL0044 FORMULA C33H40O20 EXACTMASS 756.21129372 AVERAGEMASS 756.6587 SMILES C(=C(c(c6)ccc(c6)O)1)(OC(O4)C(O)C(C(C4COC(O5)C(C(C(O)C5C)O)O)O)O)C(c(c3O)c(cc(c3)OC(C(O)2)OC(CO)C(O)C2O)O1)=O M END
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