null CDK 0225161900 null 36 38 0 0 0 0 0 0 0 0999 V2000 8.8733 1.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0938 1.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4701 1.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6906 1.4927 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5347 0.6825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1583 0.1425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0024 -0.6677 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2228 -0.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5992 -0.3976 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8196 -0.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6637 -1.4778 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 -1.2609 1.7627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4168 0.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1315 0.9526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2874 1.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0669 2.0328 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2228 2.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7551 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6260 -1.2078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4701 -2.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9378 0.4125 0.0000 C 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 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 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 21 1 0 0 0 0 23 27 1 0 0 0 0 27 28 1 0 0 0 0 13 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 4 1 0 0 0 0 31 32 1 6 0 0 0 9 33 1 0 0 0 0 7 34 1 6 0 0 0 34 35 1 0 0 0 0 6 36 1 6 0 0 0 M END > CHEBI:115355 > 3-methoxy-N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide > 2 > C28H39N3O5 > 497.627 > 497.28897 > 0 > CCCN1C[C@@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)OC)OC[C@@H]1C)C)OC)C > InChI=1S/C28H39N3O5/c1-7-13-31-16-19(2)26(35-6)17-30(4)28(33)24-12-11-22(15-25(24)36-18-20(31)3)29-27(32)21-9-8-10-23(14-21)34-5/h8-12,14-15,19-20,26H,7,13,16-18H2,1-6H3,(H,29,32)/t19-,20-,26+/m0/s1 > PRIYVIVOOHHDTI-CUVVAGTFSA-N > LSM-26812 $$$$