Mol:FL3FCCNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 31 0 0 0 0 0 0 0 0999 V2000 -0.7145 -1.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.0924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -3.0924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -2.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.6201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.0299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4301 1.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4301 2.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7169 3.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 3.0924 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 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 1 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 2 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 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 11 1 0 0 0 0 7 17 2 0 0 0 0 4 18 1 0 0 0 0 6 19 1 0 0 0 0 5 20 1 0 0 0 0 3 21 1 0 0 0 0 14 22 1 0 0 0 0 13 23 1 0 0 0 0 18 24 1 0 0 0 0 15 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 S SKP 8 ID FL3FCCNI0001 KNApSAcK_ID C00013393 NAME Muxiangrin III;Muxiangrine III;2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-5-hydroxy-7-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one CAS_RN 223917-06-4 FORMULA C23H24O6 EXACTMASS 396.1572885 AVERAGEMASS 396.43306 SMILES CC(C)=CCc(c1)c(c(cc1C(=C3)Oc(c(C(=O)3)2)c(C)c(c(C)c2O)OC)O)O M END