http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3AFL3FACCSS002 2026-09-10T12:55:34Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:FL3FACCSS002&diff=185139&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 /> -0.9848 -0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9848 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4285 -1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1278 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1278 -0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4285 0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6841 -1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2404 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2404 -0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6841 0.0959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6841 -1.6897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4285 -1.8310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.9203 0.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.5065 -0.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.0927 0.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.0927 0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.5065 1.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.9203 0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.6786 1.2140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.1647 -1.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.7936 -1.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.2591 -1.3766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.7433 -1.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.1181 -0.9962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.5857 -1.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.6786 -1.3912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.3722 -1.6127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.9528 -1.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.9341 0.2832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.5556 0.2832 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.5556 0.7651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.0712 0.2832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.5556 -0.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.5065 1.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.9841 -0.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.1873 -0.6723 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 /> 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 /> 22 28 1 0 0 0 0<br /> 2 23 1 0 0 0 0<br /> 29 30 1 0 0 0 0<br /> 30 31 2 0 0 0 0<br /> 30 32 1 0 0 0 0<br /> 30 33 2 0 0 0 0<br /> 29 1 1 0 0 0 0<br /> 17 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 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 35 36<br /> M SBL 1 1 38<br /> M SMT 1 ^CH2OH<br /> M SBV 1 38 -6.4322 7.1589<br /> S SKP 8<br /> ID FL3FACCSS002<br /> KNApSAcK_ID C00006086<br /> NAME Isoorientin 7-O-sulfate<br /> CAS_RN -<br /> FORMULA C21H20O14S<br /> EXACTMASS 528.057376038<br /> AVERAGEMASS 528.4411<br /> SMILES C(C1O)(O)C(O)C(CO)OC1c(c(OS(O)(=O)=O)4)c(c(C(=O)3)c(c4)OC(=C3)c(c2)cc(c(O)c2)O)O<br /> M END<br /> &lt;/pre&gt;</div>

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