Mrv1652304282215262D 23 24 0 0 1 0 999 V2000 -0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4849 -0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7846 -1.0799 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7846 -0.2549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7846 0.5701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5692 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5692 -1.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8242 -2.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6312 -2.2910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8861 -3.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3341 -3.6887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6931 -3.2472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5215 -4.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7146 -3.8826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -4.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3285 -4.2257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -3.4187 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0521 -2.8056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7550 -4.2033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5619 -4.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8646 -2.4402 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 4 3 1 6 0 0 0 4 5 1 0 0 0 0 1 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 4 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 14 12 1 1 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 14 19 1 0 0 0 0 19 20 1 1 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 14 23 1 6 0 0 0 M END > NP0068299 > NP-MRD > CO[C@H](C)[C@](O)(C(=O)OCC1=CCN2(=O)CCC[C@@H]12)C(C)(C)O > InChI=1S/C16H27NO6/c1-11(22-4)16(20,15(2,3)19)14(18)23-10-12-7-9-17(21)8-5-6-13(12)17/h7,11,13,19-20H,5-6,8-10H2,1-4H3/t11-,13+,16+,17?/m1/s1 > HBLMREVMAXBIKQ-DYLCFMGLSA-N > C16H27NO6 > 329.393 > 329.183837593 > 5 > 50 > 34.3911155504774 > 1 > 2 > 0 > 0 > [(7aS)-4-oxo-2,3,5,7a-tetrahydro-1H-4lambda5-pyrrolizin-7-yl]methyl (2R)-2,3-dihydroxy-2-[(1R)-1-methoxyethyl]-3-methylbutanoate > 0.05 > -0.8619195553333331 > -2.56 > 0 > 2 > 0 > 14.548207317222975 > 10.538013237450182 > 1.0161482275806542 > 102.87 > 85.02580000000002 > 7 > 1 > 9.12e-01 g/l > [(7aS)-4-oxo-5,6,7,7a-tetrahydro-3H-4lambda5-pyrrolizin-1-yl]methyl (2R)-2,3-dihydroxy-2-[(1R)-1-methoxyethyl]-3-methylbutanoate > 0 > NP0068299 > (+)-Ilamine N-oxide $$$$