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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 /> -0.4125 1.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1003 1.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2786 1.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.0563 2.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5692 2.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7473 1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1219 2.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2130 3.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7259 2.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9040 2.4370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.4543 2.8508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.0605 3.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8790 3.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2202 4.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.7430 4.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.9245 3.6398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5833 3.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5906 0.6603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.0841 4.5451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6848 1.7296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.1858 0.2733 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -2.6702 -0.4073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.9277 -0.1186 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.2112 -0.1109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.7319 0.4099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.4903 0.1375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> -3.7623 -0.0596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.4740 -0.4465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5023 -0.8328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6427 0.7508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.3851 0.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.0465 0.8552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.4590 1.5696 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 /> 1 18 1 0 0 0 0<br /> 15 19 1 0 0 0 0<br /> 20 3 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 18 1 0 0 0 0<br /> 2 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 -2.6911 1.023<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 -0.5863 -0.3027<br /> S SKP 8<br /> ID FL3FEAGS0015<br /> KNApSAcK_ID C00004231<br /> NAME Hispidulin 7-glucoside<br /> CAS_RN 17680-84-1<br /> FORMULA C22H22O11<br /> EXACTMASS 462.116211546<br /> AVERAGEMASS 462.40348000000006<br /> SMILES COc(c3O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)c(O)c(C(=O)1)c(c3)OC(c(c2)ccc(c2)O)=C1<br /> M END<br /> &lt;/pre&gt;</div>

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