Mol:FL5FAANN0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 35 0 0 0 0 0 0 0 0999 V2000 -1.7058 -0.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7058 -0.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1495 -1.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5932 -0.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5932 -0.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1495 0.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0369 -1.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5194 -0.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5194 -0.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0369 0.0063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0369 -1.7793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0755 0.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6424 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2094 0.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2094 0.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6424 0.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0755 0.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0755 -1.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1495 -1.9206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1495 0.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7058 0.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2622 0.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2622 0.0063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7762 0.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5935 0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0445 0.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5045 0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5045 1.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0445 1.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5935 1.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7762 0.9455 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 8 18 1 0 0 0 0 3 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 1 1 0 0 0 0 15 24 1 0 0 0 0 20 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 25 1 0 0 0 0 22 31 2 0 0 0 0 S SKP 8 ID FL5FAANN0001 KNApSAcK_ID C00005078 NAME Calomelanol D;(-)-9,10-Dihydro-3,5-dihydroxy-2-(4-hydroxyphenyl)-10-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4,8-dione CAS_RN 141897-14-5 FORMULA C24H16O7 EXACTMASS 416.089602866 AVERAGEMASS 416.37964 SMILES O=C(c25)C(=C(Oc2c(c(cc5O)3)C(c(c4)cccc4)CC(=O)O3)c(c1)ccc(c1)O)O M END