null CDK 0224162315 null 39 42 0 0 0 0 0 0 0 0999 V2000 7.3142 0.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5347 0.6825 0.0000 C 0 0 1 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 1 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 2.0133 -0.1276 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3896 0.4125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9297 1.0361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8495 -0.2111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 0.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0136 0.6825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6372 1.2226 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 0.2982 2.3028 0.0000 C 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 -1.1050 2.5729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9490 3.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5727 3.9231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4168 4.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6372 5.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0136 4.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1695 3.6530 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 5.7551 0.4125 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 8.0938 1.2226 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 2 1 1 6 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 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 18 1 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 25 1 0 0 0 0 9 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 2 1 0 0 0 0 35 36 1 1 0 0 0 36 37 1 0 0 0 0 33 38 1 0 0 0 0 5 39 1 6 0 0 0 M END > CHEBI:101309 > N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-phenoxybenzenesulfonamide > 2 > C29H35N3O6S > 553.672 > 553.22466 > 0 > C[C@H]1CN[C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)N(C[C@H]1OC)C)C > InChI=1S/C29H35N3O6S/c1-20-17-30-21(2)19-37-27-16-22(10-15-26(27)29(33)32(3)18-28(20)36-4)31-39(34,35)25-13-11-24(12-14-25)38-23-8-6-5-7-9-23/h5-16,20-21,28,30-31H,17-19H2,1-4H3/t20-,21+,28+/m0/s1 > NZYQBFQVYSNMPI-BALWLHIASA-N > LSM-12675 $$$$