Mrv1652304282205332D 15 15 0 0 1 0 999 V2000 1.2352 0.6294 0.0000 C 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 0.1553 -0.1553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0997 0.6294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5678 1.1143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1628 1.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9728 1.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5528 2.5432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7977 1.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8843 0.8843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0558 1.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4974 0.3323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3297 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0059 -1.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1501 -0.7365 0.0000 C 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 1 5 1 0 0 0 0 5 6 1 1 0 0 0 5 7 1 6 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 4 10 1 1 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 3 13 1 6 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 M END > NP0058199 > NP-MRD > CC(C)[C@H]1CC[C@](C)([C@@H]1C(O)=O)C(O)=O > InChI=1S/C11H18O4/c1-6(2)7-4-5-11(3,10(14)15)8(7)9(12)13/h6-8H,4-5H2,1-3H3,(H,12,13)(H,14,15)/t7-,8+,11-/m1/s1 > WJXPLOWQFLHVGE-VHSKPIJISA-N > C11H18O4 > 214.261 > 214.12050906 > 4 > 33 > 22.429190280559475 > 1 > 2 > 0 > 1 > (1R,2R,3R)-1-methyl-3-(propan-2-yl)cyclopentane-1,2-dicarboxylic acid > 1.59 > 2.242953511333334 > -1.81 > 0 > 1 > -2 > 5.940873336192736 > 4.8158163937704295 > 74.6 > 53.684 > 3 > 1 > 3.32e+00 g/l > (1R,2R,3R)-3-isopropyl-1-methylcyclopentane-1,2-dicarboxylic acid > 0 > NP0058199 > 1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid $$$$