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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 /> -1.1133 0.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.1133 0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5570 -0.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.0007 0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.0007 0.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5570 1.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.5556 -0.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1119 0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1119 0.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.5556 1.0419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.5556 -0.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.6680 1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.2350 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.8019 1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.8019 1.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.2350 2.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.6680 1.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.5453 -0.3551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5570 -0.8850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.4359 2.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.8163 -1.1024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -2.3687 -1.6931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.7242 -1.4425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.1023 -1.4358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.5542 -0.9838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.1181 -1.2814 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> -3.4359 -1.4601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.0664 -1.7271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3550 -2.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4705 1.3394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.9705 2.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.2698 -0.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.2146 -0.1643 0.0000 O 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 /> 20 15 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 19 1 0 0 0 0<br /> 1 30 1 0 0 0 0<br /> 30 31 1 0 0 0 0<br /> 26 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 32 33<br /> M SBL 2 1 35<br /> M SMT 2 CH2OH<br /> M SVB 2 35 -2.2698 -0.4919<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 OCH3<br /> M SVB 1 33 -1.4705 1.3394<br /> S SKP 8<br /> ID FL5FCAGS0004<br /> KNApSAcK_ID C00005274<br /> NAME Rhamnocitrin 5-glucoside<br /> CAS_RN 93091-77-1<br /> FORMULA C22H22O11<br /> EXACTMASS 462.116211546<br /> AVERAGEMASS 462.40348000000006<br /> SMILES c(c23)c(OC)cc(c(C(C(=C(c(c4)ccc(c4)O)O3)O)=O)2)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O<br /> M END<br /> &lt;/pre&gt;</div>

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