http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFL7AAHGL0009 2026-04-17T12:52:21Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FL7AAHGL0009&diff=192807&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 /> 37 40 0 0 0 0 0 0 0 0999 V2000<br /> -3.3091 0.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.3091 0.1507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.7527 -0.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.1964 0.1507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.1964 0.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.7527 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.6401 -0.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.0838 0.1507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.0838 0.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.6401 1.1143 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0<br /> -0.5277 1.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0392 0.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6062 1.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6062 1.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0392 2.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5277 1.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.8651 1.1142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4723 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.7527 -0.8126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6677 -0.5700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8351 -0.5937 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> 0.5669 -1.0583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 1.0827 -0.9109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.6016 -1.0583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 1.8699 -0.5937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 1.3541 -0.7411 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> 0.4705 -0.2290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4957 -0.2123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.1316 -0.2818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0040 -1.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.7828 -2.2861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4525 -2.9960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.0056 -3.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.1575 -3.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1730 0.7869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.3226 2.6723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7640 3.5696 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 2 0 0 0 0<br /> 8 9 1 0 0 0 0<br /> 9 10 2 0 0 0 0<br /> 10 5 1 0 0 0 0<br /> 9 11 1 0 0 0 0<br /> 11 12 2 0 0 0 0<br /> 12 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 11 1 0 0 0 0<br /> 1 17 1 0 0 0 0<br /> 14 18 1 0 0 0 0<br /> 3 19 1 0 0 0 0<br /> 20 8 1 0 0 0 0<br /> 21 22 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 21 1 0 0 0 0<br /> 21 27 1 0 0 0 0<br /> 26 28 1 0 0 0 0<br /> 25 29 1 0 0 0 0<br /> 22 20 1 0 0 0 0<br /> 24 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 2 0 0 0 0<br /> 32 34 1 0 0 0 0<br /> 13 35 1 0 0 0 0<br /> 15 36 1 0 0 0 0<br /> 36 37 1 0 0 0 0<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 36 37<br /> M SBL 1 1 39<br /> M SMT 1 OCH3<br /> M SVB 1 39 0.3226 2.6723<br /> S SKP 8<br /> ID FL7AAHGL0009<br /> KNApSAcK_ID C00006894<br /> NAME Petunidin 3-(6''-acetylglucoside)<br /> CAS_RN 122731-05-9,129016-21-3<br /> FORMULA C24H25O13<br /> EXACTMASS 521.129515886<br /> AVERAGEMASS 521.4475<br /> SMILES Oc(c1)c(c(cc1c([o+1]2)c(O[C@@H](C4O)O[C@H](COC(C)=O)[C@@H](C(O)4)O)cc(c3O)c2cc(c3)O)OC)O<br /> M END<br /> &lt;/pre&gt;</div>

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