Mrv1652309112205302D 21 23 0 0 1 0 999 V2000 5.1562 -1.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0261 -0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2555 -0.6752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9189 0.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2135 0.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1657 -0.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4506 0.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6303 0.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0179 -0.4872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8475 -1.2945 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0271 -1.3818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3074 -2.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1841 -2.0477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5718 -2.6005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8991 -2.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7195 -2.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3318 -1.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5022 -1.0117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1441 -1.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8300 -0.7711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3829 -1.3835 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 6 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 6 18 1 0 0 0 0 3 18 1 0 0 0 0 18 19 1 1 0 0 0 10 20 1 0 0 0 0 7 20 1 0 0 0 0 20 21 1 6 0 0 0 M END > NP0309141 > NP-MRD > CCN1C(=O)C2=C3CO[C@](OC)([C@H]3O)[C@@H](O)CCC[C@@]12C > InChI=1S/C15H23NO5/c1-4-16-13(19)11-9-8-21-15(20-3,12(9)18)10(17)6-5-7-14(11,16)2/h10,12,17-18H,4-8H2,1-3H3/b11-9-/t10-,12-,14+,15-/m0/s1 > RQRYYNCRMSFECR-VKKPVAOGSA-N > C15H23NO5 > 297.351 > 297.157622845 > 5 > 44 > 31.269062451005155 > 1 > 2 > 0 > 1 > (5R,9S,10S,13S)-4-ethyl-9,13-dihydroxy-10-methoxy-5-methyl-11-oxa-4-azatricyclo[8.2.1.0^{2,5}]tridec-1-en-3-one > -0.1630717903333336 > 0 > 3 > 0 > 13.341029136004718 > 12.397247452182683 > -0.10470187851764623 > 79.23 > 75.78500000000001 > 2 > 1 > (5R,9S,10S,13S)-4-ethyl-9,13-dihydroxy-10-methoxy-5-methyl-11-oxa-4-azatricyclo[8.2.1.0^{2,5}]tridec-1-en-3-one > 0 > NP0309141 > (1e,5r,9s,10s,13s)-4-ethyl-9,13-dihydroxy-10-methoxy-5-methyl-11-oxa-4-azatricyclo[8.2.1.0²,⁵]tridec-1-en-3-one $$$$