Mol:FL1DDBNS0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 23 24 0 0 0 0 0 0 0 0999 V2000 -2.5067 0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5067 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7922 -0.9070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0778 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0778 0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7922 0.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3178 -0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3806 -0.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3178 -1.6023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3806 0.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0967 0.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8111 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5256 0.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5256 1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8111 1.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0967 1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4865 0.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1807 0.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8259 0.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7922 -1.5857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4215 -1.9490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1711 1.9092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8259 1.5312 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 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 10 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 5 17 1 0 0 0 0 1 18 1 0 0 0 0 18 19 1 0 0 0 0 3 20 1 0 0 0 0 20 21 1 0 0 0 0 14 22 1 0 0 0 0 22 23 1 0 0 0 0 S SKP 8 ID FL1DDBNS0001 KNApSAcK_ID C00014601 NAME Flavokawin A;Flavokawine A;2'-Hydroxy-4,4',6'-trimethoxydihydrochalcone CAS_RN 3791-75-1 FORMULA C18H20O5 EXACTMASS 316.13107375 AVERAGEMASS 316.3484 SMILES c(c1C(=O)CCc(c2)ccc(OC)c2)(O)cc(OC)cc1OC M END
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