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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 /> 42 46 0 0 0 0 0 0 0 0999 V2000<br /> 3.5040 0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.7895 0.5662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0751 0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0751 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.7895 -1.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.5040 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.3606 0.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6461 0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6461 -0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.3606 -1.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.7895 -1.6559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.3054 0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 5.0198 0.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 5.7343 0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 5.7343 1.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 5.0198 1.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.3054 1.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 6.4178 1.8359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.3606 -1.8538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.0444 0.5523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 6.3958 0.2344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.2072 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.7945 -1.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9962 -0.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2027 -1.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6153 -0.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4137 -0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5707 0.0512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.6904 -0.7911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.2432 -0.7635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2145 -1.5613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.1176 0.4082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.5296 1.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.1176 1.8352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.3534 1.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.8303 1.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.6553 1.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -5.0678 1.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.6553 0.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.8303 0.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -5.8917 1.1342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -6.4178 0.6081 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 1 0 0 0 0<br /> 3 4 2 0 0 0 0<br /> 4 5 1 0 0 0 0<br /> 5 6 1 0 0 0 0<br /> 6 1 2 0 0 0 0<br /> 3 7 1 0 0 0 0<br /> 7 8 2 0 0 0 0<br /> 8 9 1 0 0 0 0<br /> 9 10 2 0 0 0 0<br /> 10 4 1 0 0 0 0<br /> 5 11 2 0 0 0 0<br /> 1 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 /> 15 18 1 0 0 0 0<br /> 10 19 1 0 0 0 0<br /> 8 20 1 0 0 0 0<br /> 14 21 1 0 0 0 0<br /> 22 23 1 1 0 0 0<br /> 23 24 1 1 0 0 0<br /> 25 24 1 1 0 0 0<br /> 25 26 1 0 0 0 0<br /> 26 27 1 0 0 0 0<br /> 27 22 1 0 0 0 0<br /> 27 28 1 0 0 0 0<br /> 22 29 1 0 0 0 0<br /> 23 30 1 0 0 0 0<br /> 25 9 1 0 0 0 0<br /> 31 24 1 0 0 0 0<br /> 32 33 1 0 0 0 0<br /> 33 34 2 0 0 0 0<br /> 33 35 1 0 0 0 0<br /> 36 37 1 0 0 0 0<br /> 37 38 2 0 0 0 0<br /> 38 39 1 0 0 0 0<br /> 39 40 2 0 0 0 0<br /> 38 41 1 0 0 0 0<br /> 32 28 1 0 0 0 0<br /> 35 36 2 0 0 0 0<br /> 35 40 1 0 0 0 0<br /> 41 42 1 0 0 0 0<br /> S SKP 8<br /> ID FL3FACCS0060<br /> KNApSAcK_ID C00014102<br /> NAME Perfoliatumin B;Isoorientin 6''-O-p-methoxybenzoate<br /> CAS_RN 325772-32-5<br /> FORMULA C29H26O13<br /> EXACTMASS 582.137340918<br /> AVERAGEMASS 582.5089399999999<br /> SMILES c(c5O)(ccc(c5)C(O1)=CC(=O)c(c(O)2)c(cc(O)c2C(C4O)OC(C(C(O)4)O)COC(c(c3)ccc(OC)c3)=O)1)O<br /> M END<br /> &lt;/pre&gt;</div>

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