http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFL5FCEGA0001 2026-05-17T08:56:53Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FL5FCEGA0001&diff=189935&oldid=prev 2009-03-14T00:00:00Z

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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 /> 35 38 0 0 0 0 0 0 0 0999 V2000<br /> -0.1846 -5.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.4480 -5.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6677 -4.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2548 -3.9886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3778 -4.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5975 -4.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.4745 -3.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0616 -2.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5710 -3.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7907 -3.6080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.9677 -3.2979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9838 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7598 -1.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.1807 -1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.8254 -1.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.0493 -2.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.6285 -2.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.4910 -2.1591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.9416 -0.8086 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> 0.5540 -1.4800 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 1.2994 -1.2670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0494 -1.4800 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 2.4371 -0.8086 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 1.6916 -1.0216 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> 0.2145 -1.0035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.9604 -0.5560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.1981 0.0834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2999 -4.3691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.6939 -2.2383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7319 -5.6551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4979 -6.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.2461 -1.0082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.9639 -0.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.6199 -1.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.3344 -1.8502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1 2 1 0 0 0 0<br /> 2 3 2 0 0 0 0<br /> 3 4 1 0 0 0 0<br /> 4 5 2 0 0 0 0<br /> 5 6 1 0 0 0 0<br /> 6 1 2 0 0 0 0<br /> 4 7 1 0 0 0 0<br /> 7 8 1 0 0 0 0<br /> 8 9 2 0 0 0 0<br /> 9 10 1 0 0 0 0<br /> 10 5 1 0 0 0 0<br /> 7 11 2 0 0 0 0<br /> 9 12 1 0 0 0 0<br /> 12 13 2 0 0 0 0<br /> 13 14 1 0 0 0 0<br /> 14 15 2 0 0 0 0<br /> 15 16 1 0 0 0 0<br /> 16 17 2 0 0 0 0<br /> 17 12 1 0 0 0 0<br /> 19 20 1 0 0 0 0<br /> 20 21 1 1 0 0 0<br /> 23 22 1 1 0 0 0<br /> 23 24 1 0 0 0 0<br /> 24 19 1 0 0 0 0<br /> 19 25 1 0 0 0 0<br /> 24 26 1 0 0 0 0<br /> 23 27 1 0 0 0 0<br /> 20 18 1 0 0 0 0<br /> 18 8 1 0 0 0 0<br /> 22 21 1 1 0 0 0<br /> 3 28 1 0 0 0 0<br /> 16 29 1 0 0 0 0<br /> 1 30 1 0 0 0 0<br /> 30 31 1 0 0 0 0<br /> 15 32 1 0 0 0 0<br /> 32 33 1 0 0 0 0<br /> 22 34 1 0 0 0 0<br /> 34 35 1 0 0 0 0<br /> M STY 1 3 SUP<br /> M SLB 1 3 3<br /> M SAL 3 2 34 35<br /> M SBL 3 1 37<br /> M SMT 3 CH2OH<br /> M SVB 3 37 2.6199 -1.4377<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 32 33<br /> M SBL 2 1 35<br /> M SMT 2 OCH3<br /> M SVB 2 35 1.5049 1.1956<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 30 31<br /> M SBL 1 1 33<br /> M SMT 1 OCH3<br /> M SVB 1 33 -3.3344 0.5114<br /> S SKP 8<br /> ID FL5FCEGA0001<br /> KNApSAcK_ID C00005613<br /> NAME Ombuin 3-galactoside<br /> CAS_RN 69168-13-4<br /> FORMULA C23H24O12<br /> EXACTMASS 492.126776232<br /> AVERAGEMASS 492.42946<br /> SMILES Oc(c1)c(ccc1C(O3)=C(C(=O)c(c4O)c3cc(c4)OC)O[C@H](O2)C(O)C([C@H]([C@@H](CO)2)O)O)OC<br /> M END<br /> &lt;/pre&gt;</div>

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