Mol:FL5FFCNI0008
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -0.0372 -0.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0324 0.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6498 -1.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3811 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4021 0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6845 0.6021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7961 0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0991 0.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7198 0.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4523 0.2178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4644 -0.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7705 -1.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5402 0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5215 1.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8021 1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1211 1.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7571 -1.8645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6631 -1.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1021 -1.0589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1734 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2392 1.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2339 0.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8879 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7198 1.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4342 1.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6023 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3168 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3168 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0313 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0313 0.4275 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 8 1 0 0 0 0 8 5 1 0 0 0 0 2 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 1 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 8 2 0 0 0 0 12 17 1 0 0 0 0 3 18 2 0 0 0 0 4 19 1 0 0 0 0 10 20 1 0 0 0 0 21 14 1 0 0 0 0 13 22 1 0 0 0 0 20 23 1 0 0 0 0 9 24 1 0 0 0 0 24 25 1 0 0 0 0 23 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 22 30 1 0 0 0 0 S SKP 8 ID FL5FFCNI0008 KNApSAcK_ID C00013529 NAME 3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one CAS_RN 232932-39-7 FORMULA C22H22O8 EXACTMASS 414.13146768 AVERAGEMASS 414.40528000000006 SMILES O(c(c1)c(O)ccc1C(=C3O)Oc(c(C3=O)2)c(OC)c(cc2O)OCC=C(C)C)C M END
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