CDK 1030232201 43 44 0 0 0 0 0 0 0 0999 V2000 1.0887 1.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8946 1.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2162 2.3624 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8692 0.7781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7905 2.9547 0.0000 C 0 0 2 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 1.1000 1.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2265 0.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5400 3.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3138 3.6281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6802 -0.6265 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 3.3387 4.0996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3634 3.3503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6586 4.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4924 3.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4070 -1.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1496 3.1002 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1569 -1.8030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2257 -1.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7923 2.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5399 3.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0258 -0.9169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 3.1198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2048 1.8685 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3645 3.8525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1056 4.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6992 -0.4403 0.0000 N 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 6.3314 1.0533 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9624 2.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1549 0.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1560 1.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9146 -0.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5903 1.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4149 1.7039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2020 2.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8492 2.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6343 3.1576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4588 3.1322 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 2 4 1 0 0 0 0 5 3 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 1 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 19 14 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 1 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 24 29 1 0 0 0 0 24 30 1 0 0 0 0 25 31 1 0 0 0 0 26 32 3 0 0 0 0 33 28 1 0 0 0 0 28 34 1 0 0 0 0 31 35 1 0 0 0 0 33 36 1 6 0 0 0 35 37 2 0 0 0 0 36 38 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 40 42 2 0 0 0 0 41 43 2 0 0 0 0 33 35 1 0 0 0 0 42 43 1 0 0 0 0 M END > CHEBI:212093 > Yanucamide A > 2 > (2S,5R,16S)-5-benzyl-4,13,13-trimethyl-12-pent-4-ynyl-2,16-di(propan-2-yl)-1,11-dioxa-4,7,15-triazacycloheptadecane-3,6,10,14,17-pentone > C33H47N3O7 > 597.753 > 597.34140 > 0 > O=C1N[C@H](C(=O)O[C@H](C(=O)N([C@H](CC2=CC=CC=C2)C(NCCC(OC(C1(C)C)CCCC#C)=O)=O)C)C(C)C)C(C)C > InChI=1S/C33H47N3O7/c1-9-10-12-17-25-33(6,7)32(41)35-27(21(2)3)31(40)43-28(22(4)5)30(39)36(8)24(20-23-15-13-11-14-16-23)29(38)34-19-18-26(37)42-25/h1,11,13-16,21-22,24-25,27-28H,10,12,17-20H2,2-8H3,(H,34,38)(H,35,41)/t24-,25?,27+,28+/m1/s1 > UJLAUQGSVXILEB-AEDGQBGKSA-N $$$$