null CDK 0225161858 null 37 40 0 0 0 0 0 0 0 0999 V2000 5.7551 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5347 0.6825 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1583 0.1425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0024 -0.6677 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2228 -0.9377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5992 -0.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8196 -0.6677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1960 -0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3519 0.6825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7283 1.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9487 0.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7928 0.1425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4164 -0.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3251 1.4927 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5455 1.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3896 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9219 1.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1423 1.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4813 2.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3254 2.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4541 3.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0778 2.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8573 2.8429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 2.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1315 0.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3185 0.1491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2874 1.7627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0669 2.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6906 1.4927 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4701 1.7627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6260 2.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6637 2.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0669 -1.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6260 -1.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4056 -0.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9457 -0.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2157 -1.0936 0.0000 C 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 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 17 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 9 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 2 1 0 0 0 0 29 30 1 1 0 0 0 30 31 1 0 0 0 0 27 32 1 0 0 0 0 5 33 1 1 0 0 0 4 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 35 1 0 0 0 0 M END > CHEBI:111874 > N-[(4S,7R,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxybenzamide > 2 > C29H39N3O5 > 509.638 > 509.28897 > 0 > C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3OC)C(=O)N(C[C@H]1OC)C)C)CC4CC4 > InChI=1S/C29H39N3O5/c1-19-15-32(16-21-10-11-21)20(2)18-37-26-13-12-22(14-24(26)29(34)31(3)17-27(19)36-5)30-28(33)23-8-6-7-9-25(23)35-4/h6-9,12-14,19-21,27H,10-11,15-18H2,1-5H3,(H,30,33)/t19-,20+,27-/m1/s1 > QPDXZJGVGOHLSD-IOKPGSKQSA-N > LSM-23287 $$$$