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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 /> 33 37 0 0 0 0 0 0 0 0999 V2000<br /> -1.2539 0.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2539 -0.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7881 -0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3223 -0.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3223 0.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7881 0.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1435 -0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6092 -0.5032 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> 0.6092 0.0346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> 0.1435 0.3036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.0750 -0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.5408 -0.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.5408 0.0346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.0750 0.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.0750 -1.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.5408 -1.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0066 -1.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0066 -0.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.0572 -1.0589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9288 0.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4718 0.8572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.6667 0.3496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.7814 1.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3475 2.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.4192 1.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.2243 0.8572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6092 0.5917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6092 -0.9356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7881 -1.3097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.4192 -2.1046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.8800 -2.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.3700 -2.0211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.0099 -2.9540 0.0000 C 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 2 0 0 0 0<br /> 4 5 1 0 0 0 0<br /> 5 6 2 0 0 0 0<br /> 6 1 1 0 0 0 0<br /> 4 7 1 0 0 0 0<br /> 7 8 1 0 0 0 0<br /> 8 9 1 0 0 0 0<br /> 9 10 1 0 0 0 0<br /> 10 5 1 0 0 0 0<br /> 8 11 1 0 0 0 0<br /> 11 12 2 0 0 0 0<br /> 12 13 1 0 0 0 0<br /> 13 14 1 0 0 0 0<br /> 14 9 1 0 0 0 0<br /> 11 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 12 1 0 0 0 0<br /> 7 19 2 0 0 0 0<br /> 6 20 1 0 0 0 0<br /> 20 21 1 0 0 0 0<br /> 21 22 1 0 0 0 0<br /> 22 1 1 0 0 0 0<br /> 21 23 1 1 0 0 0<br /> 23 24 1 0 0 0 0<br /> 23 25 2 0 0 0 0<br /> 21 26 1 6 0 0 0<br /> 9 27 1 1 0 0 0<br /> 8 28 1 1 0 0 0<br /> 3 29 1 0 0 0 0<br /> 17 30 1 0 0 0 0<br /> 30 31 1 0 0 0 0<br /> 16 32 1 0 0 0 0<br /> 32 33 1 0 0 0 0<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 32 33<br /> M SBL 2 1 36<br /> M SMT 2 OCH3<br /> M SVB 2 36 1.0922 -1.7324<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 30 31<br /> M SBL 1 1 34<br /> M SMT 1 OCH3<br /> M SVB 1 34 2.4192 -2.1046<br /> S SKP 8<br /> ID FLIFALNF0001<br /> KNApSAcK_ID C00002575<br /> NAME Sumatrol<br /> CAS_RN 82-10-0<br /> FORMULA C23H22O7<br /> EXACTMASS 410.136553058<br /> AVERAGEMASS 410.41658000000007<br /> SMILES O([C@@]([H])(C(C)=C)1)c(c5)c(c(O2)c(c5O)C(=O)[C@@]([H])(c43)[C@]2(COc3cc(c(c4)OC)OC)[H])C1<br /> M END<br /> &lt;/pre&gt;</div>

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