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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 36 0 0 0 0 0 0 0 0999 V2000<br /> -1.3858 -0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3858 -1.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8295 -1.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2732 -1.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2732 -0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8295 -0.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2831 -1.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8394 -1.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8394 -0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2831 -0.0414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2831 -1.8270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8295 -1.9683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.9419 -0.0415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4000 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.9288 -0.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.4575 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.4575 0.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.9288 0.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4000 0.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.4575 0.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.4748 1.3080 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -2.0829 0.6687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.5673 0.9780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -0.9073 0.8543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.3610 1.3493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.9179 1.0812 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> -2.9861 1.6032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.8178 0.3261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.1923 0.3286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.1189 1.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3848 2.6473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.1931 1.4624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.6168 2.3682 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 /> 1 13 1 0 0 0 0<br /> 14 15 2 0 0 0 0<br /> 15 16 1 0 0 0 0<br /> 16 17 2 0 0 0 0<br /> 17 18 1 0 0 0 0<br /> 18 19 2 0 0 0 0<br /> 19 14 1 0 0 0 0<br /> 9 14 1 0 0 0 0<br /> 17 20 1 0 0 0 0<br /> 21 22 1 1 0 0 0<br /> 22 23 1 1 0 0 0<br /> 24 23 1 1 0 0 0<br /> 24 25 1 0 0 0 0<br /> 25 26 1 0 0 0 0<br /> 26 21 1 0 0 0 0<br /> 21 27 1 0 0 0 0<br /> 22 28 1 0 0 0 0<br /> 23 29 1 0 0 0 0<br /> 24 6 1 0 0 0 0<br /> 26 30 1 0 0 0 0<br /> 30 31 1 0 0 0 0<br /> 18 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 30 31<br /> M SBL 2 1 33<br /> M SMT 2 CH2OH<br /> M SVB 2 33 -2.1189 1.9683<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 2.1931 1.4624<br /> S SKP 8<br /> ID FL3FADCS0019<br /> KNApSAcK_ID C00006366<br /> NAME Episcoparin<br /> CAS_RN 53156-94-8<br /> FORMULA C22H22O11<br /> EXACTMASS 462.116211546<br /> AVERAGEMASS 462.40348000000006<br /> SMILES O[C@@H]([C@H]4O)[C@H](O)[C@@H](OC4CO)c(c31)c(O)cc(O)c1C(=O)C=C(O3)c(c2)cc(c(c2)O)OC<br /> M END<br /> &lt;/pre&gt;</div>

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