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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 /> 34 38 0 0 0 0 0 0 0 0999 V2000<br /> -1.8429 -1.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3220 -2.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8011 -1.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8011 -1.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3220 -1.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.8429 -1.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3220 -2.8057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.3632 -1.0976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2802 -2.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2407 -1.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2407 -1.3981 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -0.2802 -1.0973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7610 -1.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2802 -2.8242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2954 -1.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.8298 -1.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.8298 -0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2954 -0.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7610 -0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1671 0.4314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.5535 0.4959 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> 0.3025 -0.0677 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> 0.2301 1.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.5535 1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2301 2.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4168 2.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7403 1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4168 1.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7399 2.7362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.3632 -0.1726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7267 2.8242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4412 2.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4923 0.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2634 -0.4080 0.0000 O 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 /> 2 7 1 0 0 0 0<br /> 6 8 1 0 0 0 0<br /> 3 9 1 0 0 0 0<br /> 9 10 1 0 0 0 0<br /> 10 11 1 0 0 0 0<br /> 11 12 1 0 0 0 0<br /> 12 4 1 0 0 0 0<br /> 11 13 1 6 0 0 0<br /> 9 14 2 0 0 0 0<br /> 13 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 13 1 0 0 0 0<br /> 18 20 1 0 0 0 0<br /> 20 21 1 0 0 0 0<br /> 21 22 1 0 0 0 0<br /> 22 19 1 0 0 0 0<br /> 21 23 1 4 0 0 0<br /> 23 24 2 0 0 0 0<br /> 24 25 1 0 0 0 0<br /> 25 26 2 0 0 0 0<br /> 26 27 1 0 0 0 0<br /> 27 28 2 0 0 0 0<br /> 28 23 1 0 0 0 0<br /> 26 29 1 0 0 0 0<br /> 17 30 1 0 0 0 0<br /> 25 31 1 0 0 0 0<br /> 31 32 1 0 0 0 0<br /> 22 33 1 4 0 0 0<br /> 33 34 1 0 0 0 0<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 33 34<br /> M SBL 2 1 37<br /> M SMT 2 CH2OH<br /> M SVB 2 37 -0.4923 0.2287<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 31 32<br /> M SBL 1 1 35<br /> M SMT 1 OCH3<br /> M SVB 1 35 0.7267 2.8242<br /> S SKP 8<br /> ID FL2FACNN0004<br /> KNApSAcK_ID C00008378<br /> NAME Neosilyhermin B<br /> CAS_RN 96238-87-8<br /> FORMULA C25H22O9<br /> EXACTMASS 466.126382302<br /> AVERAGEMASS 466.43678<br /> SMILES C(C(=O)1)[C@@H](c(c43)ccc(O)c3OC(c(c5)ccc(O)c(OC)5)C4CO)Oc(c2)c1c(cc2O)O<br /> M END<br /> &lt;/pre&gt;</div>

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