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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 /> 28 30 0 0 0 0 0 0 0 0999 V2000<br /> -2.8240 -1.7551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.5028 -1.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.8240 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.4664 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.7876 -1.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.4664 -1.7551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.7875 -0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.4299 -0.0861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.7511 -0.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.4299 -1.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.5371 0.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -5.3932 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -5.7205 -0.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -6.3752 -0.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -6.7025 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -6.3752 -1.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -5.7205 -1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.5029 -0.0863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -7.3570 -0.6425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -7.7696 0.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -6.8751 0.7906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -7.3751 1.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -5.7205 -1.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -5.7205 -2.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.0143 -1.7281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.2966 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.8239 -2.4695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.8238 -3.4695 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 /> 9 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 16 1 0 0 0 0<br /> 16 17 2 0 0 0 0<br /> 17 12 1 0 0 0 0<br /> 3 18 1 0 0 0 0<br /> 15 19 1 0 0 0 0<br /> 19 20 1 0 0 0 0<br /> 14 21 1 0 0 0 0<br /> 21 22 1 0 0 0 0<br /> 17 23 1 0 0 0 0<br /> 23 24 1 0 0 0 0<br /> 2 25 1 0 0 0 0<br /> 25 26 1 0 0 0 0<br /> 1 27 1 0 0 0 0<br /> 27 28 1 0 0 0 0<br /> M STY 1 5 SUP<br /> M SLB 1 5 5<br /> M SAL 5 2 27 28<br /> M SBL 5 1 29<br /> M SMT 5 OCH3<br /> M SVB 5 29 -2.5983 0.6243<br /> M STY 1 4 SUP<br /> M SLB 1 4 4<br /> M SAL 4 2 25 26<br /> M SBL 4 1 27<br /> M SMT 4 OCH3<br /> M SVB 4 27 -2.9555 -0.5453<br /> M STY 1 3 SUP<br /> M SLB 1 3 3<br /> M SAL 3 2 23 24<br /> M SBL 3 1 25<br /> M SMT 3 OCH3<br /> M SVB 3 25 0.183 1.6001<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 21 22<br /> M SBL 2 1 23<br /> M SMT 2 OCH3<br /> M SVB 2 23 1.8838 0.1204<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 19 20<br /> M SBL 1 1 21<br /> M SMT 1 OCH3<br /> M SVB 1 21 2.241 1.3086<br /> S SKP 8<br /> ID FL3FELNS0004<br /> KNApSAcK_ID C00003940<br /> NAME Agehoustin G<br /> CAS_RN 96410-44-5<br /> FORMULA C20H20O8<br /> EXACTMASS 388.11581761599996<br /> AVERAGEMASS 388.368<br /> SMILES COc(c3OC)cc(c1c3O)OC(c(c2OC)cc(OC)c(c2)OC)=CC(=O)1<br /> M END<br /> &lt;/pre&gt;</div>

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