http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFLIFHXNF0008 2026-05-16T19:14:23Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FLIFHXNF0008&diff=194697&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 /> 31 35 0 0 0 0 0 0 0 0999 V2000<br /> -1.8894 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.8894 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3331 -0.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7768 -0.4174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7768 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3331 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2205 -0.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.3358 -0.4174 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> 0.3358 0.2250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> -0.2205 0.5462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8919 -0.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8919 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4867 -1.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0815 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0815 -0.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4867 -0.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2205 -1.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.5138 0.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8921 0.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.3358 -1.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4666 1.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.1055 1.2417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> -2.3667 0.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.6055 2.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.1055 2.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.0815 -1.4252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.0815 -1.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.0693 -1.9402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.7838 -2.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.6055 2.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.1055 2.9737 0.0000 O 0 0 0 0 0 0 0 0 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 1 0 0 0 0<br /> 9 10 1 0 0 0 0<br /> 10 5 1 0 0 0 0<br /> 8 11 1 0 0 0 0<br /> 11 12 1 0 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 11 2 0 0 0 0<br /> 7 17 2 0 0 0 0<br /> 16 18 1 0 0 0 0<br /> 18 19 1 0 0 0 0<br /> 19 9 1 0 0 0 0<br /> 8 20 1 0 0 0 0<br /> 1 2 1 0 0 0 0<br /> 6 21 1 0 0 0 0<br /> 21 22 1 0 0 0 0<br /> 22 23 1 0 0 0 0<br /> 23 1 1 0 0 0 0<br /> 22 24 1 0 0 0 0<br /> 24 25 2 0 0 0 0<br /> 14 26 1 0 0 0 0<br /> 26 27 1 0 0 0 0<br /> 13 28 1 0 0 0 0<br /> 28 29 1 0 0 0 0<br /> 24 30 1 0 0 0 0<br /> 30 31 1 0 0 0 0<br /> M STY 1 3 SUP<br /> M SLB 1 3 3<br /> M SAL 3 2 30 31<br /> M SBL 3 1 34<br /> M SMT 3 CH2OH<br /> M SVB 3 34 -3.0329 2.201<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 28 29<br /> M SBL 2 1 32<br /> M SMT 2 OCH3<br /> M SVB 2 32 1.0693 -1.9402<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 26 27<br /> M SBL 1 1 30<br /> M SMT 1 OCH3<br /> M SVB 1 30 2.3185 -1.6315<br /> S SKP 8<br /> ID FLIFHXNF0008<br /> KNApSAcK_ID C00009590<br /> NAME Dalbinol<br /> CAS_RN 41993-79-7<br /> FORMULA C23H22O8<br /> EXACTMASS 426.13146768<br /> AVERAGEMASS 426.41598000000005<br /> SMILES C(O1)C(O5)C(O)(C(=O)c(c53)ccc(O4)c(CC4C(CO)=C)3)c(c2)c1cc(c2OC)OC<br /> M END<br /> &lt;/pre&gt;</div>

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