http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFL4DFAGS0002 2026-08-18T13:18:33Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FL4DFAGS0002&diff=187523&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 /> 36 39 0 0 0 0 0 0 0 0999 V2000<br /> -1.1991 -1.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6782 -1.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.1573 -1.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.1573 -0.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6782 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.1991 -0.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.3636 -1.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8845 -1.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8845 -0.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.3636 -0.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.3636 -1.9963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4642 -0.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.9929 -0.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.5216 -0.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.5216 0.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.9929 0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4642 0.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.7322 -0.2623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.3527 -1.7483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.0503 0.6451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6782 -2.0732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.5579 1.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.4870 0.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.9615 0.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5449 0.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.6720 1.1161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.2013 1.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.9572 1.6293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.9647 1.2025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.9540 0.3213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6782 0.3315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.6530 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.0503 0.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.7622 -0.2735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.1247 2.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4103 1.6607 0.0000 O 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 /> 7 8 1 0 0 0 0<br /> 8 9 1 0 0 0 0<br /> 9 10 1 0 0 0 0<br /> 10 4 1 0 0 0 0<br /> 7 11 2 0 0 0 0<br /> 9 12 1 6 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 /> 6 18 1 0 0 0 0<br /> 8 19 1 1 0 0 0<br /> 15 20 1 0 0 0 0<br /> 2 21 1 0 0 0 0<br /> 22 23 1 1 0 0 0<br /> 23 24 1 1 0 0 0<br /> 25 24 1 1 0 0 0<br /> 25 26 1 0 0 0 0<br /> 26 27 1 0 0 0 0<br /> 27 22 1 0 0 0 0<br /> 22 28 1 0 0 0 0<br /> 23 29 1 0 0 0 0<br /> 24 30 1 0 0 0 0<br /> 5 31 1 0 0 0 0<br /> 31 25 1 0 0 0 0<br /> 30 32 1 0 0 0 0<br /> 32 33 1 0 0 0 0<br /> 32 34 2 0 0 0 0<br /> 27 35 1 0 0 0 0<br /> 35 36 1 0 0 0 0<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 35 36<br /> M SBL 1 1 38<br /> M SMT 1 CH2OH<br /> M SBV 1 38 -7.3735 3.9187<br /> S SKP 8<br /> ID FL4DFAGS0002<br /> KNApSAcK_ID C00008690<br /> NAME 2''-Acetylcallunin<br /> CAS_RN 164920-58-5<br /> FORMULA C23H24O13<br /> EXACTMASS 508.121690854<br /> AVERAGEMASS 508.42886<br /> SMILES c(c4)(ccc(c4)C(C3O)Oc(c(C3=O)1)c(OC(O2)C(OC(C)=O)C(O)C(C2CO)O)c(cc1O)O)O<br /> M END<br /> &lt;/pre&gt;</div>

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