Mol:FL5FACGL0032
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 52 57 0 0 0 0 0 0 0 0999 V2000 -2.3917 0.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3917 0.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6906 -0.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9895 0.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9895 0.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6906 1.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2884 -0.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4127 0.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4127 0.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2884 1.2396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2870 -1.1979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1136 1.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8282 0.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5428 1.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5428 2.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8282 2.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1136 2.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0926 1.2394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 -0.4664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6906 -1.1889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 2.5257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4637 -1.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 -1.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9622 -2.1207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 -2.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4637 -3.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2306 -2.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4602 -0.8193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7518 -2.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2516 -3.9790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 -0.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9535 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 -0.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5312 -0.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9682 -0.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2657 -0.5587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2713 -1.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4241 -1.2650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2712 -0.4236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8282 3.3019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5831 1.5468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7914 1.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0426 1.9687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7914 2.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5831 3.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3319 2.4311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1849 3.9790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7900 3.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9809 2.9299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2712 1.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7122 -3.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5404 -3.5188 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 28 31 1 0 0 0 0 34 39 1 0 0 0 0 16 40 1 0 0 0 0 42 41 1 1 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 1 0 0 0 46 41 1 1 0 0 0 45 47 1 0 0 0 0 44 48 1 0 0 0 0 46 49 1 0 0 0 0 41 50 1 0 0 0 0 42 18 1 0 0 0 0 51 52 1 0 0 0 0 25 51 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 57 M SMT 1 ^ CH2OH M SBV 1 57 0.0169 0.7167 S SKP 5 ID FL5FACGL0032 FORMULA C32H38O20 EXACTMASS 742.1956436559999 AVERAGEMASS 742.63212 SMILES O(C(C)1)C(Oc(c6)cc(c(c36)C(=O)C(OC(C4OC(O5)C(C(O)C(O)C5)O)OC(CO)C(O)C(O)4)=C(O3)c(c2)ccc(c(O)2)O)O)C(O)C(O)C1O M END
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