CDK 1030232203 37 40 0 0 0 0 0 0 0 0999 V2000 6.7289 0.4807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9752 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3078 0.6301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8889 -0.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5541 0.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1353 -1.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8866 0.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0491 -1.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1329 0.4439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2953 -2.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0522 -0.3567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4212 0.9577 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6279 -1.6820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2497 1.7647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7068 0.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8743 -2.0176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5417 -0.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4293 1.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6437 -0.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0936 1.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1411 -1.6322 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3884 -1.3762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7347 -0.6900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0167 2.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2907 0.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2712 -0.7187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4531 -1.8682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5152 -1.2330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1827 -0.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 1.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1462 0.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7772 -1.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3946 -0.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8563 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -0.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7291 0.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0053 -0.4213 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 3 5 1 0 0 0 0 4 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 9 7 1 0 0 0 0 8 10 2 0 0 0 0 9 11 1 6 0 0 0 12 9 1 0 0 0 0 13 10 1 1 0 0 0 12 14 1 1 0 0 0 12 15 1 0 0 0 0 16 13 1 1 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 21 16 1 0 0 0 0 22 16 1 6 0 0 0 23 17 1 6 0 0 0 18 24 2 0 0 0 0 20 25 2 3 0 0 0 21 26 1 6 0 0 0 21 27 1 0 0 0 0 28 22 1 0 0 0 0 23 29 1 0 0 0 0 25 30 1 0 0 0 0 25 31 1 0 0 0 0 27 32 1 0 0 0 0 28 33 1 0 0 0 0 28 34 1 1 0 0 0 31 35 2 0 0 0 0 33 36 1 0 0 0 0 36 37 1 0 0 0 0 18 20 1 0 0 0 0 22 23 1 0 0 0 0 29 33 1 0 0 0 0 32 35 1 0 0 0 0 M END > CHEBI:226754 > Umezawamide B > 2 > (3E,7S,8R,9S,10S,13R,15S,16Z,18E,24S,25S)-11-ethyl-2,7,24-trihydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.08,15.09,13]octacosa-1,3,16,18-tetraene-20,27,28-trione > C29H40N2O6 > 512.647 > 512.28864 > 0 > O=C1NCC[C@H](O)[C@@H]2NC(=O)C(C2=O)=C(O)C=CCC[C@@H]([C@@H]3[C@H](C=CC=C1)C[C@H]4CC([C@@H]([C@@H]34)C)CC)O > InChI=1S/C29H40N2O6/c1-3-17-14-19-15-18-8-4-7-11-23(35)30-13-12-22(34)27-28(36)26(29(37)31-27)21(33)10-6-5-9-20(32)25(18)24(19)16(17)2/h4,6-8,10-11,16-20,22,24-25,27,32-34H,3,5,9,12-15H2,1-2H3,(H,30,35)(H,31,37)/b8-4-,10-6+,11-7+,26-21?/t16-,17?,18+,19+,20-,22-,24+,25-,27-/m0/s1 > UYJPGMJKMZVTJY-QMUBKITBSA-N $$$$