Mol:FL5FACGA0040
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 46 50 0 0 0 0 0 0 0 0999 V2000 -2.4098 0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4098 -0.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6953 -1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9808 -0.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9808 0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6953 0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2662 -1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4483 -0.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4483 0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2662 0.4918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2662 -1.8017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3480 0.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0763 0.2301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8044 0.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8044 1.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0763 1.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3480 1.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6953 -1.9831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5839 1.9414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0720 0.6621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2567 -1.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5401 0.8787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8655 0.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0795 1.2382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8655 1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5401 2.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3261 1.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1097 2.8116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8655 2.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9328 1.7948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1704 0.8483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0763 2.7525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2626 -0.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8762 -1.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6191 -1.0807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3666 -1.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7531 -0.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0101 -0.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4858 -0.7570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2729 -0.4397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6926 0.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1177 -1.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5771 -1.6775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5784 -2.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8964 -2.7675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1704 -2.8116 0.0000 C 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 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 3 18 1 0 0 0 0 19 15 1 0 0 0 0 4 3 1 0 0 0 0 1 20 1 0 0 0 0 21 8 1 0 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 27 30 1 0 0 0 0 22 31 1 0 0 0 0 23 20 1 0 0 0 0 16 32 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 1 0 0 0 35 36 1 1 0 0 0 37 36 1 1 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 33 39 1 0 0 0 0 38 40 1 0 0 0 0 37 41 1 0 0 0 0 36 42 1 0 0 0 0 34 21 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 S SKP 5 ID FL5FACGA0040 FORMULA C29H32O17 EXACTMASS 652.163949598 AVERAGEMASS 652.55418 SMILES OC(C1Oc(c5)cc(O3)c(c5O)C(=O)C(=C(c(c4)ccc(c4O)O)3)OC(C(O)2)OC(C(O)C(O)2)COC(C)=O)C(C(C(O1)C)O)O M END
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