Mol:FL3FRNNP0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 37 0 0 0 0 0 0 0 0999 V2000 -1.1179 -0.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1179 0.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8323 0.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8323 -1.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4034 -1.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3111 -0.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3111 0.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4034 0.5267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4034 -1.9483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5468 -0.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5468 0.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8323 -1.9483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0256 -1.1233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7400 -0.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7400 0.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0256 0.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4545 0.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4545 1.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7400 1.7642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0256 1.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0246 0.1976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1690 1.7642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3111 1.7642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8154 1.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8323 1.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5468 1.7642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2613 1.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2613 0.5267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4211 1.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8154 1.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4609 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4609 -1.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0365 -0.7946 0.0000 C 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 11 2 0 0 0 0 10 4 2 0 0 0 0 4 1 1 0 0 0 0 1 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 2 1 0 0 0 0 5 9 2 0 0 0 0 11 10 1 0 0 0 0 4 12 1 0 0 0 0 6 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 7 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 16 1 0 0 0 0 20 23 2 0 0 0 0 18 22 1 0 0 0 0 17 21 2 0 0 0 0 22 24 1 0 0 0 0 3 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 11 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 14 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 S SKP 8 ID FL3FRNNP0003 KNApSAcK_ID C00013483 NAME Artomunoxanthentrione;6-Hydroxy-11-methoxy-3,3-dimethyl-9-(1-methylethenyl)-3H,7H-benzo[c]pyrano[3,2-h]xanthene-7,10,13-trione CAS_RN 139921-73-6 FORMULA C26H20O7 EXACTMASS 444.120902994 AVERAGEMASS 444.43279999999993 SMILES O(c31)c(c45)c(c(O)cc(OC(C=C5)(C)C)4)C(=O)c1cc(C(C)=C)c(c32)c(=O)c(OC)cc2=O M END