Mol:FL5FFCNS0035
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -0.7150 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4294 0.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1439 0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1439 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4294 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0005 -1.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 -0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7139 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0005 0.6186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4283 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1428 0.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8572 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8572 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1427 1.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4283 1.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0005 -1.8564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8584 0.6186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4285 -1.0314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4294 -1.8564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5717 1.8564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4294 1.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5705 0.2071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 1.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5717 0.2068 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 8 19 1 0 0 0 0 6 20 1 0 0 0 0 14 21 1 0 0 0 0 3 22 1 0 0 0 0 13 23 1 0 0 0 0 22 24 1 0 0 0 0 18 25 1 0 0 0 0 S SKP 8 ID FL5FFCNS0035 KNApSAcK_ID C00013368 NAME Zanthoxyl flavone;2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7,8-dimethoxy-4H-1-benzopyran-4-one CAS_RN 102487-38-7 FORMULA C17H14O8 EXACTMASS 346.068867424 AVERAGEMASS 346.28826 SMILES COc(c3)c(OC)c(O1)c(c(O)3)C(=O)C(O)=C1c(c2)cc(O)c(O)c2 M END