Mol:FL5FACGS0017
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -4.1462 0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1462 -0.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4316 -1.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7171 -0.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7171 0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4316 0.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0026 -1.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2881 -0.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2881 0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0026 0.5493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0026 -1.7441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5738 0.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1544 0.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8825 0.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8825 1.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1544 1.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5738 1.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8604 0.5492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4316 -1.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5047 1.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5738 -1.1006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6818 0.1632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7491 0.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3627 -0.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1057 0.1779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8533 -0.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2396 0.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4966 0.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1894 0.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9895 0.9922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8604 0.4971 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 20 15 1 0 0 0 0 8 21 1 0 0 0 0 14 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 23 29 1 0 0 0 0 28 30 1 0 0 0 0 27 31 1 0 0 0 0 24 22 1 0 0 0 0 S SKP 5 ID FL5FACGS0017 FORMULA C20H18O11 EXACTMASS 434.084911418 AVERAGEMASS 434.35032 SMILES O(C1)C(Oc(c(O)4)cc(cc4)C(=C3O)Oc(c2)c(C3=O)c(cc(O)2)O)C(O)C(C(O)1)O M END