Mol:FL3FAADS0033
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 51 56 0 0 0 0 0 0 0 0999 V2000 2.1636 0.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4491 0.8069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7346 0.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7346 -0.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4491 -0.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1636 -0.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0202 0.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6942 0.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6942 -0.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0202 -0.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3652 0.7818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0202 -1.5825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4491 -1.4151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6515 -0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0679 -0.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3509 -0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5258 -0.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1093 0.2616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8263 -0.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1744 0.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8404 0.1308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1687 -0.4320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7575 -0.7168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7744 -0.6845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9452 0.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6597 0.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3742 0.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3742 1.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6597 2.0832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9452 1.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9893 2.0259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8878 -1.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3044 -2.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5876 -1.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7629 -1.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3462 -1.0565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0630 -1.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8877 -0.9136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9893 -2.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1307 -2.0832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5116 0.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9280 0.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2110 0.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3858 0.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9694 1.3677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6864 0.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0141 1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6346 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9824 0.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5500 0.3893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6756 0.4887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 1 0 0 0 0 6 1 2 0 0 0 0 3 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 5 13 2 0 0 0 0 14 15 1 1 0 0 0 15 16 1 1 0 0 0 17 16 1 1 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 14 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0 16 24 1 0 0 0 0 9 17 1 0 0 0 0 1 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 25 1 0 0 0 0 28 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 37 1 0 0 0 0 37 32 1 0 0 0 0 32 38 1 0 0 0 0 33 39 1 0 0 0 0 34 40 1 0 0 0 0 35 24 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 46 1 0 0 0 0 46 41 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 41 49 1 0 0 0 0 42 50 1 0 0 0 0 43 51 1 0 0 0 0 44 11 1 0 0 0 0 S SKP 5 ID FL3FAADS0033 FORMULA C32H38O19 EXACTMASS 726.200729034 AVERAGEMASS 726.6327200000001 SMILES O(c(c(C(O6)C(C(O)C(O)C6CO)OC(O5)C(O)C(O)C(O)C5)4)cc(c(c4O)2)OC(c(c3)ccc(O)c3)=CC(=O)2)C(O1)C(C(O)C(O)C1CO)O M END
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