Mol:FL3FRNNF0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 37 0 0 0 0 0 0 0 0999 V2000 -1.0559 -1.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0559 -0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7704 -0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7704 -1.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3414 -1.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3731 -1.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3731 -0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3414 -0.1134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3414 -2.5884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4848 -1.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4848 -0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7704 -2.5884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 -1.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8020 -1.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8020 -0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 -0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5165 -0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5165 0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8020 1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0866 -0.4425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0891 -1.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2310 1.1241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1993 -0.1134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0891 -2.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9138 -1.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3731 1.1241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7855 2.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 2.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2420 2.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8603 2.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2420 1.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9138 -0.5259 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 2 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 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 7 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 16 1 0 0 0 0 11 24 1 0 0 0 0 20 27 1 0 0 0 0 18 23 1 0 0 0 0 17 21 1 0 0 0 0 14 22 1 0 0 0 0 22 21 1 0 0 0 0 22 25 1 0 0 0 0 22 26 1 0 0 0 0 19 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 24 33 1 0 0 0 0 S SKP 8 ID FL3FRNNF0005 KNApSAcK_ID C00013482 NAME Artonin T;5a,6-Dihydro-1,3,8-trihydroxy-10-methoxy-5,5-dimethyl-2-(3-methyl-2-butenyl)-5H,7H-benzofuro[3,4-bc]xanthen-7-one CAS_RN 161017-03-4 FORMULA C26H26O7 EXACTMASS 450.167853186 AVERAGEMASS 450.48043999999993 SMILES C(C)(C)=CCc(c5O)c(c(C=13)c(c45)C(C(O4)(C)C)CC(C(c(c(O3)2)c(O)cc(OC)c2)=O)1)O M END