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<p></p> <p><b>New page</b></p><div>&lt;pre&gt;<br /> <br /> Copyright: ARM project http://www.metabolome.jp/<br /> 33 36 0 0 0 0 0 0 0 0999 V2000<br /> -0.6386 1.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.0823 1.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.4738 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.4738 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.0505 0.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.6273 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.6273 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.0505 1.8133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6386 0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.0823 0.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.0505 -0.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.4976 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.4976 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.0505 -1.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.6035 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.6035 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.2036 1.8131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.0505 -2.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.0838 -0.1190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.0034 -0.5341 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -1.6452 -1.0070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.1294 -0.8064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -0.6317 -0.8010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -0.9933 -0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5202 -0.6285 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> -2.0034 0.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.2036 -1.0342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8338 -1.3025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.1560 -1.4608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3060 -0.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.9247 0.6933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9958 2.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4957 2.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1 2 2 0 0 0 0<br /> 2 3 1 0 0 0 0<br /> 3 4 2 0 0 0 0<br /> 4 5 1 0 0 0 0<br /> 5 6 2 0 0 0 0<br /> 6 7 1 0 0 0 0<br /> 7 8 1 0 0 0 0<br /> 8 3 1 0 0 0 0<br /> 1 9 1 0 0 0 0<br /> 9 10 2 0 0 0 0<br /> 10 4 1 0 0 0 0<br /> 5 11 1 0 0 0 0<br /> 11 12 2 0 0 0 0<br /> 12 13 1 0 0 0 0<br /> 13 14 2 0 0 0 0<br /> 14 15 1 0 0 0 0<br /> 15 16 2 0 0 0 0<br /> 16 11 1 0 0 0 0<br /> 7 17 2 0 0 0 0<br /> 14 18 1 0 0 0 0<br /> 20 21 1 1 0 0 0<br /> 21 22 1 1 0 0 0<br /> 23 22 1 1 0 0 0<br /> 23 24 1 0 0 0 0<br /> 24 25 1 0 0 0 0<br /> 25 20 1 0 0 0 0<br /> 20 26 1 0 0 0 0<br /> 21 27 1 0 0 0 0<br /> 22 28 1 0 0 0 0<br /> 19 23 1 0 0 0 0<br /> 10 19 1 0 0 0 0<br /> 15 29 1 0 0 0 0<br /> 25 30 1 0 0 0 0<br /> 30 31 1 0 0 0 0<br /> 1 32 1 0 0 0 0<br /> 32 33 1 0 0 0 0<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 30 31<br /> M SBL 2 1 33<br /> M SMT 2 CH2OH<br /> M SVB 2 33 -1.306 -0.0923<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 32 33<br /> M SBL 1 1 35<br /> M SMT 1 OCH3<br /> M SVB 1 35 -0.9958 2.099<br /> S SKP 8<br /> ID FLNACCGS0002<br /> KNApSAcK_ID C00010238<br /> NAME 5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-galactoside<br /> CAS_RN 112078-67-8<br /> FORMULA C22H22O11<br /> EXACTMASS 462.116211546<br /> AVERAGEMASS 462.40348000000006<br /> SMILES c(c(O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)1)c(OC)cc(O3)c1C(=CC(=O)3)c(c2)ccc(c2O)O<br /> M END<br /> &lt;/pre&gt;</div>

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