CDK 1030232203 39 44 0 0 0 0 0 0 0 0999 V2000 5.6861 0.2051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8781 0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3261 -0.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4656 0.9920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4976 -1.1425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6586 0.8205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5518 1.8125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2726 1.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2822 -1.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2462 1.5350 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4656 2.6330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7982 2.1481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9497 -0.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5372 -2.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4256 1.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6172 -1.3975 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9560 -0.0945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0523 -2.8496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3622 -2.1821 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4421 -1.3975 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6642 0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0297 -2.6670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1073 -2.9668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6971 -2.1821 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9271 -0.7301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3787 -0.0876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6642 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7833 -3.0026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3787 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0931 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3787 2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 4 2 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 8 4 1 0 0 0 0 4 9 1 6 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 12 7 1 0 0 0 0 8 13 1 1 0 0 0 14 8 1 0 0 0 0 10 15 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 18 1 1 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 17 23 2 0 0 0 0 24 17 1 0 0 0 0 20 25 2 0 0 0 0 26 21 1 0 0 0 0 22 27 1 0 0 0 0 28 24 1 0 0 0 0 24 29 1 6 0 0 0 25 30 1 0 0 0 0 25 31 1 0 0 0 0 32 26 1 0 0 0 0 26 33 1 1 0 0 0 27 34 2 0 0 0 0 27 35 1 0 0 0 0 28 36 1 1 0 0 0 35 37 2 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 5 7 1 0 0 0 0 12 14 1 0 0 0 0 14 13 1 1 0 0 0 21 24 1 0 0 0 0 28 32 1 0 0 0 0 32 36 1 1 0 0 0 M END > CHEBI:227853 > Dibohemamine A > 2 > N-[(1S,2S,4R,5S)-8-[[(1S,2S,4R,5S)-1,5-dimethyl-7-(3-methylbut-2-enoylamino)-9-oxo-3-oxa-6-azatricyclo[4.3.0.02,4]non-7-en-8-yl]methyl]-1,5-dimethyl-9-oxo-3-oxa-6-azatricyclo[4.3.0.02,4]non-7-en-7-yl]-3-methylbut-2-enamide > C29H36N4O6 > 536.629 > 536.26348 > 0 > O=C1C(=C(NC(=O)C=C(C)C)N2[C@]1([C@@H]3O[C@@H]3[C@@H]2C)C)CC4=C(N5[C@H]([C@@H]6[C@H]([C@]5(C4=O)C)O6)C)NC(=O)C=C(C)C > InChI=1S/C29H36N4O6/c1-12(2)9-18(34)30-26-16(22(36)28(7)24-20(38-24)14(5)32(26)28)11-17-23(37)29(8)25-21(39-25)15(6)33(29)27(17)31-19(35)10-13(3)4/h9-10,14-15,20-21,24-25H,11H2,1-8H3,(H,30,34)(H,31,35)/t14-,15-,20+,21+,24+,25+,28+,29+/m0/s1 > GUONLEGRVMXNQJ-YYUXWGNSSA-N $$$$