CDK 1018121544 45 49 0 0 0 0 0 0 0 0999 V2000 6.8255 -2.2294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1137 -2.6410 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4388 -2.7891 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9610 -1.0742 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7795 -1.8890 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3974 -1.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3976 -2.2297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1097 -3.5297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6037 -1.8224 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2867 -3.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3129 -1.2115 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0177 -0.6132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4885 -1.2865 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8254 -1.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4943 -0.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7601 -0.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1134 -0.9907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6702 -0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5338 -4.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7599 -2.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9612 -2.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 0.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1936 -0.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1150 -0.2635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0563 -2.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0037 -2.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2814 -0.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1555 -1.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9795 -1.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1056 -0.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4546 -0.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4278 -1.7560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5222 -3.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3928 -3.0518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1078 -1.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5340 -1.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2446 -2.6203 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5014 -1.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7936 -3.2337 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1338 -4.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5568 -5.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3106 -4.9703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5369 -4.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5994 -3.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0205 -3.3679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 0 0 0 0 15 4 1 0 0 0 0 16 6 1 0 0 0 0 17 14 1 0 0 0 0 18 15 2 0 0 0 0 8 19 1 6 0 0 0 20 7 1 0 0 0 0 21 20 1 0 0 0 0 22 12 2 0 0 0 0 23 12 1 0 0 0 0 4 24 1 1 0 0 0 25 5 1 0 0 0 0 5 26 1 1 0 0 0 27 23 1 0 0 0 0 28 23 2 0 0 0 0 29 28 1 0 0 0 0 30 27 2 0 0 0 0 31 30 1 0 0 0 0 9 32 1 6 0 0 0 10 8 1 0 0 0 0 17 6 2 0 0 0 0 4 9 1 0 0 0 0 11 18 1 0 0 0 0 31 29 2 0 0 0 0 25 33 1 0 0 0 0 2 1 1 0 0 0 0 7 34 1 1 0 0 0 3 1 1 0 0 0 0 2 35 1 6 0 0 0 4 16 1 0 0 0 0 1 36 1 1 0 0 0 5 9 1 0 0 0 0 3 37 1 0 0 0 0 6 7 1 0 0 0 0 37 38 1 6 0 0 0 7 2 1 0 0 0 0 37 39 1 0 0 0 0 8 3 1 0 0 0 0 19 40 1 0 0 0 0 9 21 1 0 0 0 0 40 41 1 0 0 0 0 10 2 1 0 0 0 0 40 42 2 0 0 0 0 11 5 1 0 0 0 0 39 43 1 0 0 0 0 12 13 1 0 0 0 0 39 44 1 0 0 0 0 11 13 1 1 0 0 0 3 45 1 6 0 0 0 M END > CHEBI:70427 > Buxalongifolamidine > A natural product found in Buxus natalensis and Buxus longifolia. > 2 > C35H50N2O5 > 578.78190 > 578.37197 > 0 > [H][C@@]12CC[C@@]3([H])[C@](C)(CO)[C@@H](NC(=O)c4ccccc4)C=C[C@]3(O)CC1=CC[C@]1(C)[C@@]([H])([C@H](C)N(C)C)[C@@H](C[C@@]21C)OC(C)=O > InChI=1S/C35H50N2O5/c1-22(37(6)7)30-27(42-23(2)39)20-34(5)26-13-14-28-32(3,21-38)29(36-31(40)24-11-9-8-10-12-24)16-18-35(28,41)19-25(26)15-17-33(30,34)4/h8-12,15-16,18,22,26-30,38,41H,13-14,17,19-21H2,1-7H3,(H,36,40)/t22-,26+,27+,28-,29-,30-,32-,33+,34-,35-/m0/s1 > SQULXMOMDPJQNT-QCFSPYGNSA-N > 20954721 $$$$