Mrv1652309122214002D 15 15 0 0 0 0 999 V2000 -0.2814 3.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2707 2.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0776 2.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0157 1.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5678 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1198 1.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9268 1.5559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3747 2.5120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2352 0.6294 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4652 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9084 0.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6581 1.2366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 5 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 5 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 M END > NP0328493 > NP-MRD > CC(C)CC1(N=C(O)CC1(C)O)C(O)=N > InChI=1S/C10H18N2O3/c1-6(2)4-10(8(11)14)9(3,15)5-7(13)12-10/h6,15H,4-5H2,1-3H3,(H2,11,14)(H,12,13) > SNBONYSNCLHAOU-UHFFFAOYSA-N > C10H18N2O3 > 214.265 > 214.131742448 > 5 > 33 > 22.41125135486444 > 1 > 4 > 0 > 0 > 3,5-dihydroxy-3-methyl-2-(2-methylpropyl)-3,4-dihydro-2H-pyrrole-2-carboximidic acid > -1.657405421480791 > 0 > 1 > 0 > 5.270032325178794 > -3.6507503886721606 > 12.985274717618303 > 96.9 > 65.60090000000001 > 3 > 1 > 3,5-dihydroxy-3-methyl-2-(2-methylpropyl)-4H-pyrrole-2-carboximidic acid > 0 > NP0328493 > 3,5-dihydroxy-3-methyl-2-(2-methylpropyl)-4h-pyrrole-2-carboximidic acid $$$$