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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 /> -0.9552 0.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4343 -0.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0866 0.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0866 0.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4343 0.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9552 0.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6075 -0.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1284 0.0635 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 1.1284 0.6649 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> 0.6075 0.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6075 -0.7612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.7081 0.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.2368 0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.7655 0.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.7655 1.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.2368 1.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.7081 1.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.5966 -0.5132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.2942 1.8801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4343 -0.8382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.9575 -1.4660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -2.3754 -1.8801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.8221 -1.4281 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.1157 -1.3210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.6979 -0.9068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.2512 -1.3588 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> -3.4263 -1.5487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.5155 -2.4026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4569 -1.7933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.6496 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.6490 -0.5720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3124 1.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.8123 2.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1 2 2 0 0 0 0<br /> 2 3 1 0 0 0 0<br /> 3 4 2 0 0 0 0<br /> 4 5 1 0 0 0 0<br /> 5 6 2 0 0 0 0<br /> 6 1 1 0 0 0 0<br /> 3 7 1 0 0 0 0<br /> 7 8 1 0 0 0 0<br /> 8 9 1 0 0 0 0<br /> 9 10 1 0 0 0 0<br /> 10 4 1 0 0 0 0<br /> 7 11 2 0 0 0 0<br /> 9 12 1 6 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 1 0 0 0<br /> 15 19 1 0 0 0 0<br /> 2 20 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 /> 20 24 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 /> 26 30 1 0 0 0 0<br /> 30 31 1 0 0 0 0<br /> 6 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 -2.6496 -0.6078<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 -1.3124 1.2837<br /> S SKP 8<br /> ID FL4DCAGS0002<br /> KNApSAcK_ID C00008682<br /> NAME Aromadendrin 7-methyl ether 5-glucoside<br /> CAS_RN 93078-93-4<br /> FORMULA C22H24O11<br /> EXACTMASS 464.13186161<br /> AVERAGEMASS 464.41936000000004<br /> SMILES c(c23)c(OC)cc(c(C([C@@H]([C@@H](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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