http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFLIAABGS0006 2026-05-17T09:54:51Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FLIAABGS0006&diff=193505&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 /> 38 41 0 0 0 0 0 0 0 0999 V2000<br /> -1.4594 0.5126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9031 0.1915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3468 0.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2093 0.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2093 -0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7861 -0.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.3628 -0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.3628 0.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7861 0.5246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9029 -0.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3468 -0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7861 -1.4729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.9391 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.9391 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.4905 -1.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.0418 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.0418 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.4905 -0.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.5633 0.3089 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -3.2170 -0.1482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.7184 0.0457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.1988 0.0400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.5869 0.4006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.0963 0.2177 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> -3.9503 0.5324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.5439 -0.5784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.4328 -0.4338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.3317 0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3573 -1.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.3317 1.1964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.7911 1.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.1627 1.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5441 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9033 1.1329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5441 2.0014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.7911 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.9078 -1.9438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.7738 -2.4439 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 /> 24 28 1 0 0 0 0<br /> 22 1 1 0 0 0 0<br /> 11 29 1 0 0 0 0<br /> 28 30 1 0 0 0 0<br /> 30 31 1 0 0 0 0<br /> 31 32 1 0 0 0 0<br /> 32 33 1 0 0 0 0<br /> 33 34 1 0 0 0 0<br /> 33 35 2 0 0 0 0<br /> 31 36 2 0 0 0 0<br /> 16 37 1 0 0 0 0<br /> 37 38 1 0 0 0 0<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 37 38<br /> M SBL 2 1 40<br /> M SMT 2 OCH3<br /> M SVB 2 40 3.2359 -1.65<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 3 33 35 34<br /> M SBL 1 1 36<br /> M SMT 1 COOH<br /> M SVB 1 36 -1.5441 1.5028<br /> S SKP 8<br /> ID FLIAABGS0006<br /> KNApSAcK_ID C00010117<br /> NAME Bichanin A 7-O-glucoside-6''-malonate<br /> CAS_RN 34232-17-2<br /> FORMULA C25H24O13<br /> EXACTMASS 532.121690854<br /> AVERAGEMASS 532.45026<br /> SMILES O=C(CC(O)=O)OCC([C@H](O)4)O[C@H]([C@H]([C@H]4O)O)Oc(c1)cc(O3)c(C(C(=C3)c(c2)ccc(OC)c2)=O)c1O<br /> M END<br /> &lt;/pre&gt;</div>

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