http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFLIAEAGS0004 2026-05-27T00:32:34Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FLIAEAGS0004&diff=193807&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 /> -1.4594 0.9966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9031 0.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3468 0.9966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2093 0.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2093 0.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7861 -0.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.3628 0.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.3628 0.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7861 1.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9029 0.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3468 -0.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7861 -0.9889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.9391 -0.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.9391 -0.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.4905 -1.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.0418 -0.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.0418 -0.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.4905 -0.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.5633 0.7929 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -3.2170 0.3358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.7184 0.5297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.1988 0.5240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.5869 0.8846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.0963 0.7017 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> -3.9503 1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.5438 -0.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.4328 0.0501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3573 -0.9283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.9078 -1.4598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.7738 -1.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.2957 1.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.2510 1.8740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.6173 0.1255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.6173 -0.6994 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 7 1 0 0 0 0<br /> 7 8 2 0 0 0 0<br /> 8 9 1 0 0 0 0<br /> 9 4 1 0 0 0 0<br /> 2 10 1 0 0 0 0<br /> 10 11 2 0 0 0 0<br /> 11 5 1 0 0 0 0<br /> 6 12 2 0 0 0 0<br /> 7 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 17 1 0 0 0 0<br /> 17 18 2 0 0 0 0<br /> 18 13 1 0 0 0 0<br /> 19 20 1 1 0 0 0<br /> 20 21 1 1 0 0 0<br /> 22 21 1 1 0 0 0<br /> 22 23 1 0 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 /> 20 26 1 0 0 0 0<br /> 21 27 1 0 0 0 0<br /> 22 1 1 0 0 0 0<br /> 11 28 1 0 0 0 0<br /> 16 29 1 0 0 0 0<br /> 29 30 1 0 0 0 0<br /> 24 31 1 0 0 0 0<br /> 31 32 1 0 0 0 0<br /> 10 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 -3.2957 1.5785<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 -1.6173 0.1255<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 3.2359 -1.166<br /> S SKP 8<br /> ID FLIAEAGS0004<br /> KNApSAcK_ID C00010125<br /> NAME Irisolidone 7-O-glucoside;Kakkalidone<br /> CAS_RN 6009-88-7<br /> FORMULA C23H24O11<br /> EXACTMASS 476.13186161<br /> AVERAGEMASS 476.43006<br /> SMILES COc(c3O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)c(c(C1=O)c(c3)OC=C1c(c2)ccc(c2)OC)O<br /> M END<br /> &lt;/pre&gt;</div>

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