Mrv1652309022215042D 22 22 0 0 1 0 999 V2000 0.0640 -2.4517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7784 -2.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4929 -2.4517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4929 -3.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2074 -2.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2074 -1.2142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9218 -2.4517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6363 -2.0392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1060 -1.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1666 -1.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8844 -0.6320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9791 -1.5505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5094 -0.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2612 -2.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0737 -2.4690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6040 -1.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7309 -2.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9185 -2.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3882 -3.4465 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5757 -3.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0454 -3.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3276 -4.7104 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 3 4 1 6 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 8 7 1 1 0 0 0 8 9 1 6 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 2 0 0 0 0 8 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 M END > NP0155928 > NP-MRD > CC[C@@H](C)C(=O)O[C@]1(C)C(NCCO)=CC(OC)=C(C)C1=O > InChI=1S/C16H25NO5/c1-6-10(2)15(20)22-16(4)13(17-7-8-18)9-12(21-5)11(3)14(16)19/h9-10,17-18H,6-8H2,1-5H3/t10-,16-/m1/s1 > UTRDVXSMNWAJLY-QLJPJBMISA-N > C16H25NO5 > 311.378 > 311.173272909 > 5 > 47 > 33.52926295206484 > 1 > 2 > 0 > 1 > (1R)-2-[(2-hydroxyethyl)amino]-4-methoxy-1,5-dimethyl-6-oxocyclohexa-2,4-dien-1-yl (2R)-2-methylbutanoate > 1.53 > 1.2429012749999995 > -2.68 > 0 > 1 > 0 > 15.58879603885839 > 3.8976309064346975 > 84.86000000000001 > 85.08 > 8 > 1 > 6.45e-01 g/l > (1R)-2-[(2-hydroxyethyl)amino]-4-methoxy-1,5-dimethyl-6-oxocyclohexa-2,4-dien-1-yl (2R)-2-methylbutanoate > 0 > NP0155928 > (1r)-2-[(2-hydroxyethyl)amino]-4-methoxy-1,5-dimethyl-6-oxocyclohexa-2,4-dien-1-yl (2r)-2-methylbutanoate $$$$