Mrv1652309042208272D 14 14 0 0 1 0 999 V2000 -0.1467 2.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5678 1.9393 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2822 2.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2822 3.1768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9967 1.9393 0.0000 O 0 0 0 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 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 2 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 -0.0997 0.6294 0.0000 C 0 0 1 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 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 6 2 1 1 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 6 0 0 0 9 11 1 0 0 0 0 6 11 1 0 0 0 0 11 12 1 1 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 M END > NP0189887 > NP-MRD > C[C@@H]([C@H]1CC[C@H](C)[C@H]1C(O)=O)C(O)=O > InChI=1S/C10H16O4/c1-5-3-4-7(6(2)9(11)12)8(5)10(13)14/h5-8H,3-4H2,1-2H3,(H,11,12)(H,13,14)/t5-,6-,7+,8+/m0/s1 > OIFCPZGZZQQDNO-RULNZFCNSA-N > C10H16O4 > 200.234 > 200.104858995 > 4 > 30 > 20.317426545912564 > 1 > 2 > 0 > 1 > (1R,2R,5S)-2-[(1S)-1-carboxyethyl]-5-methylcyclopentane-1-carboxylic acid > 1.6869392093333333 > 0 > 1 > -2 > 4.823431573682889 > 4.092871626175394 > 74.6 > 49.183 > 3 > 1 > (1R,2R,5S)-2-[(1S)-1-carboxyethyl]-5-methylcyclopentane-1-carboxylic acid > 0 > NP0189887 > (1r,2r,5s)-2-[(1s)-1-carboxyethyl]-5-methylcyclopentane-1-carboxylic acid $$$$