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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 /> -2.0912 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.0912 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5349 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9786 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9786 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5349 -0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4223 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1340 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1340 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4223 -0.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4223 -2.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2895 2.0489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -1.8951 1.5901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.6381 0.9295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.6313 0.2920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.1679 0.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4730 1.3332 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> -0.9930 2.5623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.4653 2.0232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.2736 0.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5349 -2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6901 -0.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2763 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.8626 -0.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.8626 0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2763 0.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6901 0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.4484 0.3795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.4484 -0.9739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.0378 1.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3234 1.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.4484 -0.3380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.9484 0.5280 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 /> 12 13 1 1 0 0 0<br /> 13 14 1 1 0 0 0<br /> 15 14 1 1 0 0 0<br /> 15 16 1 0 0 0 0<br /> 16 17 1 0 0 0 0<br /> 17 12 1 0 0 0 0<br /> 12 18 1 0 0 0 0<br /> 13 19 1 0 0 0 0<br /> 14 20 1 0 0 0 0<br /> 6 15 1 0 0 0 0<br /> 3 21 1 0 0 0 0<br /> 9 22 1 0 0 0 0<br /> 22 23 2 0 0 0 0<br /> 23 24 1 0 0 0 0<br /> 24 25 2 0 0 0 0<br /> 25 26 1 0 0 0 0<br /> 26 27 2 0 0 0 0<br /> 27 22 1 0 0 0 0<br /> 25 28 1 0 0 0 0<br /> 24 29 1 0 0 0 0<br /> 17 30 1 0 0 0 0<br /> 30 31 1 0 0 0 0<br /> 1 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 30 31<br /> M SBL 2 1 33<br /> M SMT 2 CH2OH<br /> M SVB 2 33 -1.0378 1.5845<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 32 33<br /> M SBL 1 1 35<br /> M SMT 1 OCH3<br /> M SVB 1 35 -2.4484 -0.338<br /> S SKP 8<br /> ID FL3FCCCS0002<br /> KNApSAcK_ID C00006122<br /> NAME Isoswertiajaponin;2-(3,4-Dihydroxyphenyl)-8-beta-D-glucopyranosyl-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one<br /> CAS_RN 6980-41-2<br /> FORMULA C22H22O11<br /> EXACTMASS 462.116211546<br /> AVERAGEMASS 462.40348000000006<br /> SMILES O[C@@H]([C@H]1O)[C@H](O)[C@H](c(c42)c(cc(O)c(C(=O)C=C(O4)c(c3)ccc(c3O)O)2)OC)OC1CO<br /> M END<br /> &lt;/pre&gt;</div>

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