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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 /> 32 34 0 0 0 0 0 0 0 0999 V2000<br /> -2.3202 0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.3202 -0.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.7639 -0.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2076 -0.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2076 0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.7639 0.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6513 -0.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.0950 -0.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.0950 0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6513 0.5932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6513 -1.1923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.4611 0.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.0281 0.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.5950 0.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.5950 1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.0281 1.5751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.4611 1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.4611 -0.6914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.7639 -1.3336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.8763 0.5931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.4611 -1.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.9672 -1.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.0450 -1.5683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4721 -1.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.9672 -2.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4721 -0.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.3115 2.1513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.7528 3.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4859 1.1663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.0495 2.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.5950 1.2478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.5950 1.2478 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 /> 8 18 1 0 0 0 0<br /> 3 19 1 0 0 0 0<br /> 1 20 1 0 0 0 0<br /> 18 21 1 0 0 0 0<br /> 21 22 1 0 0 0 0<br /> 21 23 2 0 0 0 0<br /> 22 24 2 0 0 0 0<br /> 22 25 1 0 0 0 0<br /> 24 26 1 0 0 0 0<br /> 16 27 1 0 0 0 0<br /> 27 28 1 0 0 0 0<br /> 6 29 1 0 0 0 0<br /> 29 30 1 0 0 0 0<br /> 15 31 1 0 0 0 0<br /> 31 32 1 0 0 0 0<br /> M STY 1 3 SUP<br /> M SLB 1 3 3<br /> M SAL 3 2 31 32<br /> M SBL 3 1 33<br /> M SMT 3 OCH3<br /> M SVB 3 33 2.1618 1.575<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 29 30<br /> M SBL 2 1 31<br /> M SMT 2 OCH3<br /> M SVB 2 31 -1.4859 1.1663<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 27 28<br /> M SBL 1 1 29<br /> M SMT 1 OCH3<br /> M SVB 1 29 1.3115 2.1513<br /> S SKP 8<br /> ID FL5FFCNI0001<br /> KNApSAcK_ID C00004942<br /> NAME Flaccidine<br /> CAS_RN 137832-26-9<br /> FORMULA C23H22O9<br /> EXACTMASS 442.126382302<br /> AVERAGEMASS 442.41538<br /> SMILES O(c(c3)c(OC)cc(c3)C(O2)=C(C(=O)c(c21)c(O)cc(c1OC)O)OC(C(C)=CC)=O)C<br /> M END<br /> &lt;/pre&gt;</div>

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