Mol:FL5FGCNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -0.0464 -0.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 0.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6436 -0.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3696 -0.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3788 0.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6536 0.8404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7852 0.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0933 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7469 0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4751 0.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4728 -0.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7713 -0.8267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5343 0.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5253 1.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8105 2.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1249 1.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7713 -1.6517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6436 -1.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0841 -0.8241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1895 0.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9023 0.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7469 1.6494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1872 -0.8389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9007 -0.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3470 0.5531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8403 1.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3470 1.9311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7062 -0.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4857 -2.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5714 0.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2216 0.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8403 0.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2216 -0.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4613 2.0619 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 20 21 1 0 0 0 0 9 22 1 0 0 0 0 11 23 1 0 0 0 0 23 24 1 0 0 0 0 13 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 14 1 0 0 0 0 19 28 1 0 0 0 0 17 29 1 0 0 0 0 21 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 22 34 1 0 0 0 0 S SKP 8 ID FL5FGCNI0001 KNApSAcK_ID C00013531 NAME 2-(1,3-Benzodioxol-5-yl)-3,5,6,8-tetramethoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one CAS_RN 244260-17-1 FORMULA C25H26O9 EXACTMASS 470.15768243 AVERAGEMASS 470.46853999999996 SMILES O(c14)COc1cc(cc4)C(=C3OC)Oc(c(OC)2)c(C(=O)3)c(c(OC)c(OCC=C(C)C)2)OC M END