Mol:FL3FAIGS0013
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 59 64 0 0 0 0 0 0 0 0999 V2000 3.2302 2.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2302 2.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9446 1.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6592 2.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6592 2.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9446 3.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5157 1.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8011 2.0197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0867 1.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0867 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8011 0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5157 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3722 2.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3424 1.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3424 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3722 0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8011 -0.3487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0569 2.0197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3722 -0.3164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1911 3.1518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9446 3.9119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2723 1.6657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6278 4.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2723 0.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8985 2.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4859 1.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6878 1.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8946 1.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3070 2.4265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1051 2.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4783 2.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5992 2.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2663 1.9387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3090 1.2826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1522 3.3362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1601 2.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7445 0.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9964 -0.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4633 0.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6837 0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4320 1.0044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9651 0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6333 0.6882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2723 0.3193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1411 -0.5826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6026 -0.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4264 0.2551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7458 -0.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0917 0.2202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7458 -0.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4540 -1.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4540 -2.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1685 -2.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1685 -3.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4540 -3.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7396 -3.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7396 -2.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4540 -4.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6333 1.3688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 16 19 1 0 0 0 0 5 20 1 0 0 0 0 6 21 1 0 0 0 0 4 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 25 26 1 1 0 0 0 26 27 1 1 0 0 0 28 27 1 1 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 25 1 0 0 0 0 30 31 1 0 0 0 0 25 32 1 0 0 0 0 26 33 1 0 0 0 0 27 34 1 0 0 0 0 31 35 2 0 0 0 0 31 36 1 0 0 0 0 28 18 1 0 0 0 0 37 38 1 1 0 0 0 38 39 1 1 0 0 0 40 39 1 1 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 37 1 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 37 45 1 0 0 0 0 38 46 1 0 0 0 0 39 47 1 0 0 0 0 40 34 1 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 48 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 57 52 1 0 0 0 0 55 58 1 0 0 0 0 43 59 1 0 0 0 0 S SKP 5 ID FL3FAIGS0013 FORMULA C38H36O21 EXACTMASS 828.174908214 AVERAGEMASS 828.67984 SMILES C(C6C(O)=O)(O)C(C(C(O6)Oc(c3)cc(O)c(C(=O)5)c3OC(=C5)c(c4)cc(c(O)c4OC)OC)OC(C(OC(=O)C=Cc(c2)ccc(c2)O)1)OC(C(O)=O)C(O)C(O)1)O M END
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