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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 /> 30 32 0 0 0 0 0 0 0 0999 V2000<br /> -2.3731 0.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.3731 -0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.8168 -0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2605 -0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2605 0.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.8168 0.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7042 -0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.1479 -0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.4082 -0.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.9643 -0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.5253 -0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0863 -0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0863 0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.5253 0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.9643 0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7042 -1.1464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7044 0.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.9840 0.5170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.3616 -0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.9840 -0.5224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.2532 -0.8056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5388 -1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.9523 -0.8239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.8183 -1.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.9523 0.8239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.8183 1.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.8057 1.2222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.2444 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.0912 -0.8097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.8057 -1.2222 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 11 2 0 0 0 0<br /> 11 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 10 1 0 0 0 0<br /> 7 16 2 0 0 0 0<br /> 5 17 1 0 0 0 0<br /> 1 18 1 0 0 0 0<br /> 18 19 1 0 0 0 0<br /> 19 20 1 0 0 0 0<br /> 20 2 1 0 0 0 0<br /> 3 21 1 0 0 0 0<br /> 21 22 1 0 0 0 0<br /> 12 23 1 0 0 0 0<br /> 23 24 1 0 0 0 0<br /> 13 25 1 0 0 0 0<br /> 25 26 1 0 0 0 0<br /> 14 27 1 0 0 0 0<br /> 27 28 1 0 0 0 0<br /> 11 29 1 0 0 0 0<br /> 29 30 1 0 0 0 0<br /> M STY 1 5 SUP<br /> M SLB 1 5 5<br /> M SAL 5 2 29 30<br /> M SBL 5 1 31<br /> M SMT 5 OCH3<br /> M SVB 5 31 1.0912 -0.8097<br /> M STY 1 4 SUP<br /> M SLB 1 4 4<br /> M SAL 4 2 27 28<br /> M SBL 4 1 29<br /> M SMT 4 OCH3<br /> M SVB 4 29 1.8057 1.2222<br /> M STY 1 3 SUP<br /> M SLB 1 3 3<br /> M SAL 3 2 25 26<br /> M SBL 3 1 27<br /> M SMT 3 OCH3<br /> M SVB 3 27 2.6471 0.6477<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 23 24<br /> M SBL 2 1 25<br /> M SMT 2 OCH3<br /> M SVB 2 25 2.2899 -0.5301<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 21 22<br /> M SBL 1 1 23<br /> M SMT 1 OCH3<br /> M SVB 1 23 -2.2532 -0.8056<br /> S SKP 8<br /> ID FL1CELNS0004<br /> KNApSAcK_ID C00007032<br /> NAME 6'-Hydroxy-2,3,4,5,2'-pentamethoxy-3',4'-methylenedioxychalcone<br /> CAS_RN 121697-05-0<br /> FORMULA C21H22O9<br /> EXACTMASS 418.126382302<br /> AVERAGEMASS 418.39398<br /> SMILES COc(c1OC)cc(C=CC(=O)c(c2OC)c(O)cc(O3)c(OC3)2)c(c1OC)OC<br /> M END<br /> &lt;/pre&gt;</div>

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