http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFL5FFCGS0014 2026-09-25T14:29:03Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FL5FFCGS0014&diff=191095&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 /> 36 39 0 0 0 0 0 0 0 0999 V2000<br /> -3.5505 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.5505 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.9942 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.4379 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.4379 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.9942 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.8816 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3253 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3253 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.8816 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.8816 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7692 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2023 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.3647 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.3647 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2023 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7692 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.9942 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7692 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2023 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.9489 1.1187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.9807 1.4629 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> 1.6799 0.9419 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 2.2584 1.1072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.8403 0.9419 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 3.1412 1.4629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 2.5627 1.2976 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> 1.4220 1.3132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.6042 1.7722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.5753 1.2123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.7162 0.7182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.2797 1.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.9078 0.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.4078 1.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.0399 0.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.0399 -0.1755 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 /> 9 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 17 2 0 0 0 0<br /> 17 12 1 0 0 0 0<br /> 3 18 1 0 0 0 0<br /> 8 19 1 0 0 0 0<br /> 16 20 1 0 0 0 0<br /> 15 21 1 0 0 0 0<br /> 22 23 1 0 0 0 0<br /> 23 24 1 1 0 0 0<br /> 24 25 1 1 0 0 0<br /> 26 25 1 1 0 0 0<br /> 26 27 1 0 0 0 0<br /> 27 22 1 0 0 0 0<br /> 22 28 1 0 0 0 0<br /> 27 29 1 0 0 0 0<br /> 26 30 1 0 0 0 0<br /> 23 21 1 0 0 0 0<br /> 6 31 1 0 0 0 0<br /> 31 32 1 0 0 0 0<br /> 1 33 1 0 0 0 0<br /> 33 34 1 0 0 0 0<br /> 25 35 1 0 0 0 0<br /> 35 36 1 0 0 0 0<br /> M STY 1 3 SUP<br /> M SLB 1 3 3<br /> M SAL 3 2 35 36<br /> M SBL 3 1 38<br /> M SMT 3 CH2OH<br /> M SVB 3 38 3.1933 0.9686<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 33 34<br /> M SBL 2 1 36<br /> M SMT 2 OCH3<br /> M SVB 2 36 -3.9078 0.4428<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 31 32<br /> M SBL 1 1 34<br /> M SMT 1 OCH3<br /> M SVB 1 34 -2.7162 0.7182<br /> S SKP 8<br /> ID FL5FFCGS0014<br /> KNApSAcK_ID C00005712<br /> NAME Gossypetin 7,8-dimethyl ether 4'-glucoside<br /> CAS_RN 161895-70-1<br /> FORMULA C23H24O13<br /> EXACTMASS 508.121690854<br /> AVERAGEMASS 508.42886<br /> SMILES c(c(O[C@@H](C(O)4)O[C@H](CO)[C@@H](C4O)O)3)cc(cc3O)C(=C2O)Oc(c1OC)c(C2=O)c(O)cc1OC<br /> M END<br /> &lt;/pre&gt;</div>

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