http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3ABMCCCC--a001 2026-09-15T05:38:06Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:BMCCCC--a001&diff=176499&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 /> 63 67 0 0 1 0 0 0 0 0999 V2000<br /> 3.6092 -9.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.7431 -10.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.7431 -11.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.6092 -11.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.4752 -11.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.4752 -10.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.6092 -8.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.4752 -8.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.4752 -7.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 5.3412 -6.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 5.3412 -5.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0000 -11.8567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.4067 -12.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.4013 -12.6658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.4752 -5.1876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 18.0456 11.0761 0.0000 N 0 0 0 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11 63 1 0 0 0 0<br /> S SKP 7<br /> ID BMCCCC--a001<br /> NAME (E,E)-Piperoyl-CoA<br /> FORMULA C33H44N7O19P3S<br /> EXACTMASS 967.1625<br /> AVERAGEMASS 967.7255<br /> SMILES c(O5)(c4OC5)cc(cc4)C=CC=CC(SCCNC(=O)CCNC([C@@H](C(C)(C)COP(OP(O)(=O)OC[C@@H](O1)[C@@H](OP(O)(O)=O)[C@H]([C@@H]1n(c23)cnc2c(ncn3)N)O)(O)=O)O)=O)=O<br /> KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02611<br /> M END<br /> &lt;/pre&gt;</div>

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