http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFL1CQUCCN001 2026-05-15T13:16:52Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FL1CQUCCN001&diff=182226&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 /> 42 45 0 0 0 0 0 0 0 0999 V2000<br /> -1.3910 -0.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3910 -1.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6765 -1.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0380 -1.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0380 -0.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6765 -0.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6765 -2.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.1385 2.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.7197 1.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3082 1.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3188 0.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7374 0.8559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.1488 1.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6248 1.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4835 2.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.7316 2.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.7197 2.4160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.9708 1.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2045 0.1467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6617 -0.3777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7720 -1.9866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7720 -2.7019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.5675 -1.9866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.4359 -1.9844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.2031 -1.9844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.6156 -2.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.4406 -2.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.8531 -1.9844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.4406 -1.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.6156 -1.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 5.4615 -1.9844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.1122 -0.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.1122 -0.0595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.9535 -0.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.6316 -0.2679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.2881 -0.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.0157 -1.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.1909 -1.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.4091 -1.9398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.9479 -1.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.7334 -0.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -5.4615 -0.3223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1 2 2 0 0 0 0<br /> 2 3 1 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 1 0 0 0 0<br /> 3 7 2 0 0 0 0<br /> 8 9 1 1 0 0 0<br /> 9 10 1 1 0 0 0<br /> 11 10 1 1 0 0 0<br /> 11 12 1 0 0 0 0<br /> 12 13 1 0 0 0 0<br /> 13 8 1 0 0 0 0<br /> 13 14 1 0 0 0 0<br /> 14 15 1 0 0 0 0<br /> 8 16 1 0 0 0 0<br /> 9 17 1 0 0 0 0<br /> 10 18 1 0 0 0 0<br /> 11 6 1 0 0 0 0<br /> 6 19 1 0 0 0 0<br /> 5 20 1 0 0 0 0<br /> 4 21 1 0 0 0 0<br /> 21 22 2 0 0 0 0<br /> 21 23 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 29 1 0 0 0 0<br /> 29 30 2 0 0 0 0<br /> 30 25 1 0 0 0 0<br /> 28 31 1 0 0 0 0<br /> 1 32 1 0 0 0 0<br /> 32 33 1 0 0 0 0<br /> 32 34 2 0 0 0 0<br /> 34 35 1 0 0 0 0<br /> 35 36 1 0 0 0 0<br /> 36 37 1 0 0 0 0<br /> 37 38 1 0 0 0 0<br /> 38 34 1 0 0 0 0<br /> 37 39 1 0 0 0 0<br /> 38 40 1 0 0 0 0<br /> 36 41 1 0 0 0 0<br /> 41 42 1 0 0 0 0<br /> S SKP 8<br /> ID FL1CQUCCN001<br /> KNApSAcK_ID C00014590<br /> NAME Tinctormine<br /> CAS_RN 149475-43-4<br /> FORMULA C27H31NO14<br /> EXACTMASS 593.174454705<br /> AVERAGEMASS 593.5333800000001<br /> SMILES C(C1O)(C(C(O)=3)(C(=CC(C3C(=O)C=Cc(c4)ccc(O)c4)=O)C(=C(N2)C(C(O)C2CO)O)O)O)OC(C(C1O)O)CO<br /> M END<br /> &lt;/pre&gt;</div>

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