http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFL3FCACS0006 2026-05-17T14:06:07Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FL3FCACS0006&diff=185881&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 /> 1.7531 -0.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.3279 -0.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.3279 0.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.7531 0.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1783 0.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1783 -0.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.7988 0.5976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2434 -1.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.3509 -1.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.3509 -0.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2434 -0.4028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8378 -0.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8378 -1.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4321 -0.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.0264 -0.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.0264 -1.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4321 -1.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2434 -2.2893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5010 -2.1666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4809 0.3036 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -0.8978 0.6402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.0685 1.2916 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> -0.8978 1.9389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.4809 1.6023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.3103 0.9510 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -0.6955 2.2893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.6504 1.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.8710 0.8007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.4248 1.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.7988 0.7465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.4248 1.6085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6386 1.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0758 1.1272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.5738 -1.2053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.5134 -1.5473 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 1 1 0 0 0 0<br /> 3 7 1 0 0 0 0<br /> 8 9 1 0 0 0 0<br /> 9 10 2 0 0 0 0<br /> 10 11 1 0 0 0 0<br /> 11 12 1 0 0 0 0<br /> 12 13 2 0 0 0 0<br /> 13 8 1 0 0 0 0<br /> 10 6 1 0 0 0 0<br /> 12 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 13 1 0 0 0 0<br /> 8 18 2 0 0 0 0<br /> 17 19 1 0 0 0 0<br /> 20 21 1 0 0 0 0<br /> 21 22 1 0 0 0 0<br /> 22 23 1 0 0 0 0<br /> 23 24 1 1 0 0 0<br /> 24 25 1 1 0 0 0<br /> 20 25 1 1 0 0 0<br /> 14 20 1 0 0 0 0<br /> 23 26 1 0 0 0 0<br /> 24 27 1 0 0 0 0<br /> 25 28 1 0 0 0 0<br /> 28 29 1 0 0 0 0<br /> 29 30 2 0 0 0 0<br /> 29 31 1 0 0 0 0<br /> 22 32 1 0 0 0 0<br /> 32 33 1 0 0 0 0<br /> 15 34 1 0 0 0 0<br /> 34 35 1 0 0 0 0<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 CH2OH<br /> M SVB 2 35 -0.6386 1.5397<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 34 35<br /> M SBL 1 1 37<br /> M SMT 1 OCH3<br /> M SVB 1 37 -2.3837 -0.1272<br /> S SKP 8<br /> ID FL3FCACS0006<br /> KNApSAcK_ID C00006160<br /> NAME Isoswertisin 2''-acetate<br /> CAS_RN 51693-99-3<br /> FORMULA C24H24O11<br /> EXACTMASS 488.13186161<br /> AVERAGEMASS 488.44076<br /> SMILES c(c3OC)c(c(c(c3[C@H](O4)[C@@H](OC(C)=O)[C@@H](O)[C@H](C(CO)4)O)2)C(C=C(O2)c(c1)ccc(c1)O)=O)O<br /> M END<br /> &lt;/pre&gt;</div>

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