Mrv1652309112222062D 20 23 0 0 1 0 999 V2000 0.0039 1.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5124 0.8883 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3735 0.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7864 -0.1783 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1274 0.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2798 0.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4521 0.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3381 -0.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 -0.8359 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1931 -1.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9066 -2.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5363 -1.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4851 -0.7177 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3335 -0.6470 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8394 -1.2986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6091 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9830 0.7403 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2018 1.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6223 2.1230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0001 1.7441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 4 9 1 6 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 13 12 1 1 0 0 0 4 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 1 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 5 17 1 0 0 0 0 17 18 1 1 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 M END > NP0319198 > NP-MRD > C[C@H]1C[C@@]23[C@@H]4CCCN2CC1C=C3[C@H](C[C@H]4O)C(O)=O > InChI=1S/C16H23NO3/c1-9-7-16-12-3-2-4-17(16)8-10(9)5-13(16)11(15(19)20)6-14(12)18/h5,9-12,14,18H,2-4,6-8H2,1H3,(H,19,20)/t9-,10?,11-,12+,14+,16-/m0/s1 > PBWADGLOXCLHLK-OQHOUTLYSA-N > C16H23NO3 > 277.364 > 277.167793605 > 4 > 43 > 29.79899040173449 > 1 > 2 > 0 > 0 > (7S,8R,10S,12S,14S)-8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.0^{3,12}.0^{7,12}]pentadec-11(15)-ene-10-carboxylic acid > -1.9729523957636959 > 0 > 4 > 0 > 14.86969668768042 > 4.025640166264594 > 9.430501510488197 > 60.769999999999996 > 76.0471 > 1 > 1 > (7S,8R,10S,12S,14S)-8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.0^{3,12}.0^{7,12}]pentadec-11(15)-ene-10-carboxylic acid > 0 > NP0319198 > (7s,8r,10s,12s,14s)-8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.0³,¹².0⁷,¹²]pentadec-11(15)-ene-10-carboxylic acid $$$$