http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFLIAEACS0001 2026-10-02T13:30:33Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FLIAEACS0001&diff=193799&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 /> 34 37 0 0 0 0 0 0 0 0999 V2000<br /> -2.0280 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.0280 -1.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4717 -1.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9154 -1.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9154 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4717 -0.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3591 -1.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1972 -1.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1972 -0.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3591 -0.2942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.5841 -0.2943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3591 -2.1210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3639 2.0702 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -1.8181 1.6160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.5000 1.0580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.5000 0.4158 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.0458 0.8699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3639 1.4280 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> -1.0953 2.8082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.6351 1.8349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.8519 0.7061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7990 -2.2101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.3278 -2.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.8565 -2.2101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.8565 -1.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.3278 -1.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7990 -1.5995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4717 -2.2210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.7425 -1.1663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.5394 -1.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5702 1.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.0593 2.2777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.7225 -2.7102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.5885 -3.2102 0.0000 C 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 /> 1 11 1 0 0 0 0<br /> 7 12 2 0 0 0 0<br /> 13 14 1 1 0 0 0<br /> 14 15 1 1 0 0 0<br /> 16 15 1 1 0 0 0<br /> 16 17 1 0 0 0 0<br /> 17 18 1 0 0 0 0<br /> 18 13 1 0 0 0 0<br /> 13 19 1 0 0 0 0<br /> 14 20 1 0 0 0 0<br /> 15 21 1 0 0 0 0<br /> 6 16 1 0 0 0 0<br /> 22 23 2 0 0 0 0<br /> 23 24 1 0 0 0 0<br /> 24 25 2 0 0 0 0<br /> 25 26 1 0 0 0 0<br /> 26 27 2 0 0 0 0<br /> 27 22 1 0 0 0 0<br /> 27 8 1 0 0 0 0<br /> 3 28 1 0 0 0 0<br /> 2 29 1 0 0 0 0<br /> 29 30 1 0 0 0 0<br /> 18 31 1 0 0 0 0<br /> 31 32 1 0 0 0 0<br /> 24 33 1 0 0 0 0<br /> 33 34 1 0 0 0 0<br /> M STY 1 3 SUP<br /> M SLB 1 3 3<br /> M SAL 3 2 31 32<br /> M SBL 3 1 34<br /> M SMT 3 CH2OH<br /> M SVB 3 34 -0.5702 1.418<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 33 34<br /> M SBL 2 1 36<br /> M SMT 2 OCH3<br /> M SVB 2 36 2.028 -2.4163<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 29 30<br /> M SBL 1 1 32<br /> M SMT 1 OCH3<br /> M SVB 1 32 -2.7425 -1.1663<br /> S SKP 8<br /> ID FLIAEACS0001<br /> KNApSAcK_ID C00006155<br /> NAME Volubilinin<br /> CAS_RN 58930-58-8<br /> FORMULA C23H24O11<br /> EXACTMASS 476.13186161<br /> AVERAGEMASS 476.43006<br /> SMILES O[C@@H]([C@H]4O)[C@@H]([C@@H](OC4CO)c(c(O)1)c(O2)c(C(=O)C(c(c3)ccc(c3)OC)=C2)c(O)c1OC)O<br /> M END<br /> &lt;/pre&gt;</div>

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