Mol:FL3FAAGS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -1.3565 -0.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3565 -1.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6420 -1.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0724 -1.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0724 -0.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6420 -0.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7868 -1.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5013 -1.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5013 -0.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7868 -0.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7868 -2.3753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2154 -0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9436 -0.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6716 -0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6716 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9436 1.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2154 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0706 -0.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6420 -2.5568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3997 1.1787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6929 0.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8861 -0.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1687 0.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9126 1.5983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7194 2.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4635 1.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3271 2.5568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9126 2.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1673 1.5883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3997 0.1655 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 3 19 1 0 0 0 0 15 20 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 26 21 1 1 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 26 29 1 0 0 0 0 21 30 1 0 0 0 0 22 18 1 0 0 0 0 S SKP 5 ID FL3FAAGS0007 FORMULA C21H20O9 EXACTMASS 416.11073223799997 AVERAGEMASS 416.37809999999996 SMILES Oc(c1)ccc(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(O)C(O)C(C)2)c1 M END