Mol:FL5FAHGS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 1.4723 0.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7578 1.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7578 1.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4723 2.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1867 1.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1867 1.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0433 0.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6711 1.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3856 0.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3856 -0.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6711 -0.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0433 -0.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1001 1.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8145 0.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8145 -0.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1001 -0.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6711 -1.1919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5290 1.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7578 -0.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1001 -1.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9012 2.4025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4723 3.2275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8647 0.7736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5290 1.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7877 -2.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3963 -3.2275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7877 -1.6351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7642 -2.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1530 -2.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3963 -2.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1937 -2.0018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1530 -2.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5978 -3.2074 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 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 6 23 1 0 0 0 0 23 24 1 0 0 0 0 30 25 1 1 0 0 0 29 25 1 1 0 0 0 28 30 1 1 0 0 0 30 26 1 0 0 0 0 31 28 1 0 0 0 0 29 31 1 0 0 0 0 25 27 1 0 0 0 0 29 32 1 0 0 0 0 32 33 1 0 0 0 0 19 28 1 0 0 0 0 S SKP 5 ID FL5FAHGS0004 FORMULA C21H20O12 EXACTMASS 464.095476104 AVERAGEMASS 464.37629999999996 SMILES O(C(=C3c(c4)cc(OC)c(O)c(O)4)C(=O)c(c(O3)2)c(cc(O)c2)O)C(C(O)1)OC(CO)C1O M END