Mol:FL5FAAGS0070
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 2.1427 1.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1427 0.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8571 0.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5716 0.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5716 1.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8571 2.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4282 0.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7137 0.9240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0008 0.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0008 -0.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7137 -0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4282 -0.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7152 0.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4297 0.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4297 -0.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7152 -0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7137 -1.4443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1442 0.9240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0345 -0.6636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1723 2.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7152 -1.4256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4594 -0.9574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0469 -1.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2488 -1.4628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4556 -1.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8680 -0.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6662 -1.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0326 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1723 -1.1987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6829 -1.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7036 -2.1615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 -0.0546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6955 -0.5670 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 5 20 1 0 0 0 0 16 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 28 32 2 0 0 0 0 28 33 1 0 0 0 0 25 21 1 0 0 0 0 S SKP 5 ID FL5FAAGS0070 FORMULA C21H18O12 EXACTMASS 462.07982604 AVERAGEMASS 462.36042 SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c31)cc(O)cc1OC(=C(C3=O)O)c(c2)ccc(O)c2)O)O M END