Mrv1652309042202352D 23 25 0 0 1 0 999 V2000 4.5468 0.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8029 0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1221 -0.0618 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9701 -0.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4361 -1.5535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1592 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 -0.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3996 -0.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 0.1027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 -0.4573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4004 -1.2447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2054 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4278 0.3209 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2184 0.5567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2277 0.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4323 1.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2105 1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8368 1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6849 0.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3112 0.0901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6678 0.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6708 -0.4373 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9308 0.3457 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 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 1 0 0 0 11 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 1 1 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 6 20 1 0 0 0 0 3 20 1 0 0 0 0 20 21 1 6 0 0 0 10 22 1 0 0 0 0 7 22 1 0 0 0 0 22 23 1 1 0 0 0 M END > NP0185246 > NP-MRD > CCN1C(=O)C2=C3CO[C@](OC)([C@H]3O)[C@@H](O)CCCCC[C@@]12C > InChI=1S/C17H27NO5/c1-4-18-15(21)13-11-10-23-17(22-3,14(11)20)12(19)8-6-5-7-9-16(13,18)2/h12,14,19-20H,4-10H2,1-3H3/b13-11+/t12-,14-,16+,17-/m0/s1 > SJSPSHPVPXPTPG-IZSQYPFBSA-N > C17H27NO5 > 325.405 > 325.188922973 > 5 > 50 > 35.15716413991798 > 1 > 2 > 0 > 1 > (5R,11S,12S,15S)-4-ethyl-11,15-dihydroxy-12-methoxy-5-methyl-13-oxa-4-azatricyclo[10.2.1.0^{2,5}]pentadec-1-en-3-one > 0.7260655396666662 > 0 > 3 > 0 > 13.341120427778296 > 12.397266793651838 > -0.10470177654945945 > 79.23 > 84.98699999999998 > 2 > 1 > (5R,11S,12S,15S)-4-ethyl-11,15-dihydroxy-12-methoxy-5-methyl-13-oxa-4-azatricyclo[10.2.1.0^{2,5}]pentadec-1-en-3-one > 0 > NP0185246 > (1e,5r,11s,12s,15s)-4-ethyl-11,15-dihydroxy-12-methoxy-5-methyl-13-oxa-4-azatricyclo[10.2.1.0²,⁵]pentadec-1-en-3-one $$$$