http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AAtractylenolide_III 2026-10-06T04:46:39Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:Atractylenolide_III&diff=175848&oldid=prev 2009-12-14T08:15:09Z

<p>New page: ACD/Labs12010716542D 19 21 0 0 1 0 0 0 0 0 1 V2000 26.0052 -4.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0052 -6.0812 0.0000 C 0 0 0 0 0...</p> <p><b>New page</b></p><div> <br /> ACD/Labs12010716542D <br /> <br /> 19 21 0 0 1 0 0 0 0 0 1 V2000 <br /> 26.0052 -4.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 <br /> 26.0052 -6.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 <br /> 24.8533 -4.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 <br /> 24.8533 -6.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 <br /> 23.7015 -4.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 <br /> 23.7015 -6.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 <br /> 28.3089 -4.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 <br /> 28.3089 -6.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 <br /> 27.1570 -4.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 <br /> 27.1570 -6.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 <br /> 30.6126 -4.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 <br /> 30.6126 -6.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 <br /> 29.4607 -4.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 <br /> 24.8533 -8.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 <br /> 26.0052 -7.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 <br /> 26.0052 -3.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 <br /> 28.3089 -3.4212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 <br /> 31.5531 -7.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 <br /> 31.7644 -4.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 <br /> 3 1 1 0 0 0 0 <br /> 4 2 1 0 0 0 0 <br /> 5 3 1 0 0 0 0 <br /> 6 4 1 0 0 0 0 <br /> 6 5 1 0 0 0 0 <br /> 9 7 1 0 0 0 0 <br /> 10 8 1 0 0 0 0 <br /> 1 9 1 0 0 0 0 <br /> 2 10 1 0 0 0 0 <br /> 2 1 1 0 0 0 0 <br /> 12 11 1 0 0 0 0 <br /> 13 11 1 0 0 0 0 <br /> 7 13 1 0 0 0 0 <br /> 8 7 1 0 0 0 0 <br /> 4 14 2 0 0 0 0 <br /> 2 15 1 6 0 0 0 <br /> 1 16 1 1 0 0 0 <br /> 7 17 1 1 0 0 0 <br /> 8 12 2 0 0 0 0 <br /> 12 18 1 0 0 0 0 <br /> 11 19 2 0 0 0 0 <br /> S SKP 5 <br /> ID Atractylenolide III <br /> FORMULA C15H20O3 <br /> EXACTMASS 248.141244506 <br /> AVERAGEMASS 248.3175 <br /> SMILES O=C(O1)C(C)=C(C2)C(O)1CC(C)(C3)C([H])(C(=C)CC3)2 <br /> M END</div>

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