Mol:FL3FRNNR0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 32 0 0 0 0 0 0 0 0999 V2000 -0.8161 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8161 -0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5306 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5306 -1.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1017 -1.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6128 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6128 -0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1017 0.1646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1017 -2.1529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2451 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2451 -0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5306 -2.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3273 -1.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0418 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0418 -0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3273 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7562 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7562 0.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0418 1.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3273 0.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7163 1.3423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3263 -0.1646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7591 -1.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7591 -2.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6084 -1.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3985 1.3604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3985 2.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8939 0.1266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6084 -0.2859 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 28 1 0 0 0 0 20 21 1 0 0 0 0 18 26 1 0 0 0 0 17 22 1 0 0 0 0 14 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 27 1 0 0 0 0 28 29 1 0 0 0 0 S SKP 8 ID FL3FRNNR0001 KNApSAcK_ID C00013476 NAME Artoindonesianin S;5,6-Dihydro-1,4,8-trihydroxy-3,10-dimethoxy-5-(1-methylethenyl)-7H-benzo[c]xanthen-7-one CAS_RN 502718-04-9 FORMULA C22H20O7 EXACTMASS 396.120902994 AVERAGEMASS 396.39 SMILES C(O4)(c21)=C(C(=O)c(c43)c(cc(c3)OC)O)CC(c1c(c(OC)cc2O)O)C(C)=C M END