Mol:FLNACCGS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 0 0 0 0 0 0999 V2000 -0.5720 1.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0157 1.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5404 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5404 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1171 0.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6938 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6938 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1171 1.8133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0157 0.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1171 -0.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5642 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5642 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1171 -1.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6700 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6700 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2702 1.8131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1171 -2.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0134 -0.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7924 -0.4516 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4342 -0.9245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9184 -0.7239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4207 -0.7185 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7824 -0.3568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3093 -0.5460 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1574 -0.3188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9926 -0.9517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6229 -1.2200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6332 0.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8412 0.5948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4322 0.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7284 0.2236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6297 1.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2226 -1.4608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9293 2.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4293 2.9650 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 7 1 0 0 0 0 7 8 1 0 0 0 0 8 3 1 0 0 0 0 1 9 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 5 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 14 18 1 0 0 0 0 10 19 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 25 29 1 0 0 0 0 23 19 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 15 34 1 0 0 0 0 1 35 1 0 0 0 0 35 36 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 35 36 M SBL 1 1 38 M SMT 1 OCH3 M SVB 1 38 -0.9293 2.099 S SKP 8 ID FLNACCGS0003 KNApSAcK_ID C00010247 NAME 5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-(6''-acetyl)-galactoside CAS_RN 117783-71-8 FORMULA C24H24O12 EXACTMASS 504.126776232 AVERAGEMASS 504.44016 SMILES O(c(c1)cc(O[C@@H]([C@H]4O)OC(COC(C)=O)[C@@H]([C@H](O)4)O)c(C(c(c3)cc(c(c3)O)O)=2)c(OC(=O)C2)1)C M END