Marvin 10171212062D 64 68 0 0 0 0 999 V2000 2.4423 -5.4274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4423 -6.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1543 -6.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8663 -6.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8663 -5.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1543 -5.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 -8.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4375 -8.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -9.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4421 -9.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8542 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4418 -3.8975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5667 -5.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1377 -5.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2834 -4.6248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5621 -5.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8453 -6.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8407 -7.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1332 -5.8504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5491 -7.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 -7.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4118 -7.0839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4026 -8.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3976 -9.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3194 -9.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3244 -10.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0414 -11.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7533 -10.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7483 -9.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7382 -8.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4552 -8.7164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4645 -9.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2499 -9.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2349 -8.4534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7332 -7.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 -7.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4453 -7.0738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7271 -5.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0133 -6.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0147 -7.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3039 -7.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2977 -5.8454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2955 -5.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 -4.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0089 -4.6060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1543 -4.1858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4398 -3.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4398 -2.9483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7253 -4.1858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7253 -2.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5337 -8.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2368 -8.7503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2235 -9.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5032 -9.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7947 -9.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8065 -8.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9318 -9.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4910 -10.7995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1993 -11.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7705 -11.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2742 -6.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7745 -8.1959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2510 -9.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14 17 1 0 0 0 0 1 6 1 0 0 0 0 17 18 1 0 0 0 0 33 34 1 0 0 0 0 34 9 1 0 0 0 0 9 35 1 0 0 0 0 35 32 1 0 0 0 0 2 3 1 0 0 0 0 31 36 1 0 0 0 0 18 19 1 0 0 0 0 32 37 1 0 0 0 0 36 38 1 0 0 0 0 12 11 1 0 0 0 0 18 20 1 0 0 0 0 13 12 1 0 0 0 0 19 21 1 0 0 0 0 36 41 1 0 0 0 0 38 2 1 0 0 0 0 2 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 3 4 1 0 0 0 0 41 42 1 0 0 0 0 19 22 1 0 0 0 0 40 43 1 0 0 0 0 22 7 1 0 0 0 0 43 44 1 0 0 0 0 4 5 1 0 0 0 0 44 45 1 0 0 0 0 22 23 1 0 0 0 0 44 46 2 0 0 0 0 5 6 1 0 0 0 0 6 47 1 0 0 0 0 7 24 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 24 25 1 0 0 0 0 48 50 1 0 0 0 0 14 12 1 0 0 0 0 49 51 1 0 0 0 0 25 26 1 0 0 0 0 21 52 1 0 0 0 0 52 53 1 0 0 0 0 9 8 1 0 0 0 0 26 27 1 0 0 0 0 12 15 1 0 0 0 0 27 28 1 0 0 0 0 15 45 2 0 0 0 0 52 57 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 28 29 1 0 0 0 0 54 58 1 0 0 0 0 10 9 1 0 0 0 0 55 59 1 0 0 0 0 29 30 2 0 0 0 0 59 60 1 0 0 0 0 30 33 1 0 0 0 0 59 61 1 0 0 0 0 14 16 1 0 0 0 0 17 62 1 0 0 0 0 32 31 1 0 0 0 0 7 63 1 0 0 0 0 32 33 1 0 0 0 0 7 64 1 0 0 0 0 1 2 1 0 0 0 0 M END > CHEBI:66630 > NK154183B > A 24-membered macrolide antibiotic isolated from the fermentation broth of Streptomyces sp.NK154183. It exhibits antifungal and antitumour activity against the human colon adenocarcinoma. > 3 > (4E,18E)-13-{[5-(dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-11,12,14,16,17,27a-hexahydroxy-6'-(2-hydroxybutyl)-2,2,11,15,17,28-hexamethyl-2,3,3',3a,4',5',6,6',7,8,9,10,11,12,13,14,15,16,17,22,23,26,27,27a-tetracosahydro-20H-spiro[22,26-methanofuro[2,3-h][1,5]dioxacyclohexacosine-24,2'-pyran]-20-one > C49H85NO14 > 912.19750 > 911.59701 > 0 > CCC(O)CC1CCCC2(CC3OC(=O)\C=C\C(C)(O)C(O)C(C)C(O)C(OC4CCC(C(C)O4)N(C)C)C(O)C(C)(O)CCCCC\C=C\C4CC(C)(C)OC4(O)CC(O2)C3C)O1 > InChI=1S/C49H85NO14/c1-11-34(51)26-35-19-17-24-48(62-35)28-37-30(2)38(63-48)29-49(58)33(27-45(5,6)64-49)18-15-13-12-14-16-23-46(7,56)44(55)42(61-40-21-20-36(50(9)10)32(4)59-40)41(53)31(3)43(54)47(8,57)25-22-39(52)60-37/h15,18,22,25,30-38,40-44,51,53-58H,11-14,16-17,19-21,23-24,26-29H2,1-10H3/b18-15+,25-22+ > XGECDDPXIKFBTE-WXJXXXITSA-N > 152986-49-7 > 8182998 > 152986-49-7 > 9031676 $$$$