Mol:FL5FFANS0024
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 33 35 0 0 0 0 0 0 0 0999 V2000 -0.7191 0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7287 0.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0691 -0.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6813 -0.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7124 0.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0191 1.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4268 1.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3877 1.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1365 0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1444 -0.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4343 -0.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0691 -1.2243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1421 0.8056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8607 1.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8631 2.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1476 2.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4331 2.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3877 2.0595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3958 -0.4399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6048 2.4788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2799 2.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6813 -1.6647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3958 -1.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1102 -1.6647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9799 2.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4343 -1.2413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1488 -2.4788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1488 -1.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8633 -1.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8509 1.2628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5654 0.0253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5654 0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2799 1.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 2 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 1 2 0 0 0 0 3 12 2 0 0 0 0 7 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 7 1 0 0 0 0 11 26 1 0 0 0 0 9 30 1 0 0 0 0 8 18 1 0 0 0 0 4 19 1 0 0 0 0 19 23 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 18 25 1 0 0 0 0 26 28 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 30 32 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 S SKP 8 ID FL5FFANS0024 KNApSAcK_ID C00013545 NAME 3,5,7-Tris(acetyloxy)-8-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one CAS_RN 117155-59-6 FORMULA C23H20O10 EXACTMASS 456.10564686 AVERAGEMASS 456.3989 SMILES O(C)c(c1)ccc(C(O3)=C(OC(C)=O)C(=O)c(c23)c(cc(c2OC)OC(C)=O)OC(C)=O)c1 M END
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