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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 /> -3.3828 0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.3828 -0.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.9317 -0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.4806 -0.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.4806 0.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.9317 0.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.0296 -0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5785 -0.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5785 0.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.0296 0.3826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.0296 -1.0651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.1276 0.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6679 0.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2082 0.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2082 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6679 1.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.1276 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.9317 -1.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.8440 0.4298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.5096 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1219 -0.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.8674 -0.0373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.6174 -0.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.0051 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.2596 0.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7896 0.2282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.5665 0.7398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.5644 0.0982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.3350 0.0690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.1295 -0.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.8440 -0.6361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2515 1.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.9660 0.7663 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 /> 19 1 1 0 0 0 0<br /> 20 21 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 20 1 0 0 0 0<br /> 20 26 1 0 0 0 0<br /> 25 27 1 0 0 0 0<br /> 24 28 1 0 0 0 0<br /> 14 29 1 0 0 0 0<br /> 21 29 1 0 0 0 0<br /> 23 30 1 0 0 0 0<br /> 30 31 1 0 0 0 0<br /> 15 32 1 0 0 0 0<br /> 32 33 1 0 0 0 0<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 30 31<br /> M SBL 1 1 33<br /> M SMT 1 CH2OH<br /> M SBV 1 33 -6.1622 3.9541<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 32 33<br /> M SBL 2 1 35<br /> M SMT 2 OCH3<br /> M SBV 2 35 -6.2148 4.1927<br /> S SKP 8<br /> ID FL3FAEGS0010<br /> KNApSAcK_ID C00004507<br /> NAME Diosmetin 3'-glucoside<br /> CAS_RN 141360-86-3<br /> FORMULA C22H22O11<br /> EXACTMASS 462.116211546<br /> AVERAGEMASS 462.40348000000006<br /> SMILES OC(C1O)C(Oc(c(OC)4)cc(cc4)C(O3)=CC(c(c32)c(O)cc(O)c2)=O)OC(CO)C1O<br /> M END<br /> &lt;/pre&gt;</div>

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