http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFL3FAACS0032 2026-05-25T03:57:29Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FL3FAACS0032&diff=184506&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 /> 40 44 0 0 0 0 0 0 0 0999 V2000<br /> -0.8180 -1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8180 -1.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2617 -2.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2946 -1.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2946 -1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2617 -0.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8509 -2.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4072 -1.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4072 -1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8509 -0.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8509 -2.5368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3741 -0.7514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.0369 1.7270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6425 1.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3856 0.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3787 -0.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0846 0.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2204 1.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2917 2.6781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6773 1.9834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.0210 0.2290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2617 -2.6781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0871 -0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.6733 -0.9867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.2595 -0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.2595 0.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.6733 0.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0871 0.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.8454 0.3669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.6948 0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.6948 1.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.1982 0.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.7473 0.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.2964 0.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.2964 -0.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.7473 -0.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.1982 -0.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.8454 -0.6109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.4755 1.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1899 1.0005 0.0000 O 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 1 0 0 0 0<br /> 8 9 2 0 0 0 0<br /> 9 10 1 0 0 0 0<br /> 10 5 1 0 0 0 0<br /> 7 11 2 0 0 0 0<br /> 1 12 1 0 0 0 0<br /> 13 14 1 1 0 0 0<br /> 14 15 1 1 0 0 0<br /> 16 15 1 1 0 0 0<br /> 16 17 1 0 0 0 0<br /> 17 18 1 0 0 0 0<br /> 18 13 1 0 0 0 0<br /> 13 19 1 0 0 0 0<br /> 14 20 1 0 0 0 0<br /> 15 21 1 0 0 0 0<br /> 6 16 1 0 0 0 0<br /> 3 22 1 0 0 0 0<br /> 23 24 2 0 0 0 0<br /> 24 25 1 0 0 0 0<br /> 25 26 2 0 0 0 0<br /> 26 27 1 0 0 0 0<br /> 27 28 2 0 0 0 0<br /> 28 23 1 0 0 0 0<br /> 9 23 1 0 0 0 0<br /> 26 29 1 0 0 0 0<br /> 30 21 1 0 0 0 0<br /> 30 31 2 0 0 0 0<br /> 30 32 1 0 0 0 0<br /> 32 33 2 0 0 0 0<br /> 33 34 1 0 0 0 0<br /> 34 35 2 0 0 0 0<br /> 35 36 1 0 0 0 0<br /> 36 37 2 0 0 0 0<br /> 37 32 1 0 0 0 0<br /> 35 38 1 0 0 0 0<br /> 18 39 1 0 0 0 0<br /> 39 40 1 0 0 0 0<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 39 40<br /> M SBL 1 1 43<br /> M SMT 1 CH2OH<br /> M SBV 1 43 -5.1711 5.9293<br /> S SKP 8<br /> ID FL3FAACS0032<br /> KNApSAcK_ID C00006258<br /> NAME Vitexin 2''-p-hydroxybenzoate<br /> CAS_RN 10576-90-6<br /> FORMULA C28H24O12<br /> EXACTMASS 552.126776232<br /> AVERAGEMASS 552.48296<br /> SMILES OCC(O1)C(O)C(C(OC(c(c5)ccc(c5)O)=O)C1c(c(O)4)c(O2)c(c(c4)O)C(=O)C=C2c(c3)ccc(c3)O)O<br /> M END<br /> &lt;/pre&gt;</div>

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