CDK 1029232201 55 61 0 0 0 0 0 0 0 0999 V2000 -0.1761 5.1578 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5383 4.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5383 3.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2528 5.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2528 3.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9673 4.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4243 2.7009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9673 3.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3077 2.6496 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5804 3.3683 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9159 4.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4009 3.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0885 2.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.4751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1224 3.2913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 2.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2870 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 2.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6311 0.9788 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7613 0.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0182 1.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0219 1.0840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6033 0.0411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0772 0.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3288 -0.5928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0738 -0.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4304 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3233 -1.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1530 -0.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7952 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8957 -0.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4671 -1.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.4751 0.0000 O 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 1.4442 -0.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1337 0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8737 0.0988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1031 -0.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 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 5 8 2 0 0 0 0 9 7 1 6 0 0 0 10 8 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 1 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 15 11 1 1 0 0 0 14 16 2 0 0 0 0 17 14 1 0 0 0 0 15 18 1 0 0 0 0 17 19 1 6 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 20 25 1 0 0 0 0 26 22 1 0 0 0 0 23 27 1 0 0 0 0 24 28 2 0 0 0 0 29 24 1 0 0 0 0 26 30 1 0 0 0 0 26 31 1 6 0 0 0 29 32 1 0 0 0 0 29 33 1 1 0 0 0 30 34 2 0 0 0 0 30 35 1 0 0 0 0 31 36 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 32 39 1 0 0 0 0 35 40 1 0 0 0 0 41 35 1 6 0 0 0 38 42 2 0 0 0 0 38 43 1 0 0 0 0 40 44 1 0 0 0 0 41 45 1 0 0 0 0 41 46 1 0 0 0 0 43 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 45 50 2 0 0 0 0 47 51 1 0 0 0 0 48 52 2 0 0 0 0 51 53 2 0 0 0 0 52 54 1 0 0 0 0 54 55 1 0 0 0 0 6 8 1 0 0 0 0 9 10 1 0 0 0 0 13 15 1 0 0 0 0 25 27 1 0 0 0 0 45 47 1 0 0 0 0 46 49 1 0 0 0 0 52 53 1 0 0 0 0 M END > CHEBI:202883 > NW-G06 > 2 > (3R,10S,20R,27R,30S,32R,40S)-36-chloro-32-hydroxy-15-methoxy-10,11-dimethyl-27-propan-2-yl-1,7,8,11,17,18,24,25,28,39-decazaheptacyclo[28.10.0.03,8.013,18.020,25.032,40.033,38]tetraconta-14,16,33(38),34,36-pentaene-2,9,12,19,26,29-hexone > C36H47ClN10O8 > 783.280 > 782.32669 > 0 > ClC1=CC=2N[C@H]3N4C(=O)[C@@H]5N(NCCC5)C(=O)[C@@H](N(C(=O)C6N(N=CC(=C6)OC)C([C@@H]7N(C([C@H](NC([C@@H]4C[C@]3(C2C=C1)O)=O)C(C)C)=O)NCCC7)=O)C)C > InChI=1S/C36H47ClN10O8/c1-18(2)28-34(53)46-25(9-7-13-39-46)33(52)47-26(15-21(55-5)17-40-47)31(50)43(4)19(3)30(49)45-24(8-6-12-38-45)32(51)44-27(29(48)42-28)16-36(54)22-11-10-20(37)14-23(22)41-35(36)44/h10-11,14-15,17-19,24-28,35,38-39,41,54H,6-9,12-13,16H2,1-5H3,(H,42,48)/t19-,24+,25+,26?,27-,28+,35-,36+/m0/s1 > QUIDVZCZDYUVMF-IVKKAPITSA-N $$$$