http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFL3FAICS0001 2026-05-17T23:33:46Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FL3FAICS0001&diff=185635&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 /> 35 38 0 0 0 0 0 0 0 0999 V2000<br /> -0.9585 -0.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9585 -0.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4022 -1.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1541 -0.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1541 -0.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4022 0.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7104 -1.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2667 -0.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2667 -0.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7104 0.1560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7104 -1.6295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4022 -1.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.9466 0.2590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.5328 -0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.1190 0.2590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.1190 0.9359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.5328 1.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.9466 0.9359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.9850 1.4359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.5119 -1.0520 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -2.9962 -1.6295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.4806 -1.3202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.7794 -1.4027 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.2744 -0.9489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.8312 -1.2170 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> -4.0621 -1.3697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.6386 -1.7120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5146 0.1559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.1712 -1.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.0131 -0.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.9715 -0.1682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.9850 -0.2410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.8510 -0.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.8257 1.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.2755 2.7491 0.0000 C 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 /> 3 12 1 0 0 0 0<br /> 13 14 2 0 0 0 0<br /> 14 15 1 0 0 0 0<br /> 15 16 2 0 0 0 0<br /> 16 17 1 0 0 0 0<br /> 17 18 2 0 0 0 0<br /> 18 13 1 0 0 0 0<br /> 9 13 1 0 0 0 0<br /> 16 19 1 0 0 0 0<br /> 20 21 1 1 0 0 0<br /> 21 22 1 1 0 0 0<br /> 23 22 1 1 0 0 0<br /> 23 24 1 0 0 0 0<br /> 24 25 1 0 0 0 0<br /> 25 20 1 0 0 0 0<br /> 20 26 1 0 0 0 0<br /> 21 27 1 0 0 0 0<br /> 2 23 1 0 0 0 0<br /> 1 28 1 0 0 0 0<br /> 22 29 1 0 0 0 0<br /> 25 30 1 0 0 0 0<br /> 30 31 1 0 0 0 0<br /> 15 32 1 0 0 0 0<br /> 32 33 1 0 0 0 0<br /> 17 34 1 0 0 0 0<br /> 34 35 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 33<br /> M SMT 3 CH2OH<br /> M SVB 3 33 -3.0131 -0.4538<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 34 35<br /> M SBL 2 1 37<br /> M SMT 2 OCH3<br /> M SVB 2 37 2.8257 1.856<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 32 33<br /> M SBL 1 1 35<br /> M SMT 1 OCH3<br /> M SVB 1 35 3.3476 0.0528<br /> S SKP 8<br /> ID FL3FAICS0001<br /> KNApSAcK_ID C00006151<br /> NAME Isopyrenin;6-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one<br /> CAS_RN 61252-85-5<br /> FORMULA C23H24O12<br /> EXACTMASS 492.126776232<br /> AVERAGEMASS 492.42946<br /> SMILES [C@@H](C(CO)1)([C@@H]([C@@H]([C@H](c(c(O)2)c(O)cc(O3)c(C(=O)C=C3c(c4)cc(c(c(OC)4)O)OC)2)O1)O)O)O<br /> M END<br /> &lt;/pre&gt;</div>

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