Marvin 10191210032D 33 34 0 0 0 0 999 V2000 20.7667 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1907 -0.2125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.4787 0.2042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7667 -1.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0610 -1.4477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0611 -2.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1907 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8971 -2.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9006 -1.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7723 -2.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0407 -3.4516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8592 -3.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2049 -2.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0510 0.1979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9064 0.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4768 -1.4509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3459 -1.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6320 -1.4499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9169 -1.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2031 -1.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4880 -1.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5691 -4.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4787 1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1932 1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9064 1.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6204 1.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6209 2.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9014 2.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1903 2.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3348 2.6761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0498 2.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7637 2.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4787 2.2664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 5 17 1 1 0 0 0 7 9 1 0 0 0 0 17 18 1 0 0 0 0 13 8 1 0 0 0 0 18 19 1 0 0 0 0 8 9 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 1 3 1 0 0 0 0 11 22 1 1 0 0 0 4 5 1 0 0 0 0 3 23 1 6 0 0 0 5 6 1 0 0 0 0 23 24 1 0 0 0 0 10 11 1 0 0 0 0 24 25 2 0 0 0 0 11 12 1 0 0 0 0 25 26 1 0 0 0 0 12 13 1 0 0 0 0 26 27 2 0 0 0 0 6 10 1 0 0 0 0 27 28 1 0 0 0 0 1 14 2 0 0 0 0 28 29 2 0 0 0 0 29 24 1 0 0 0 0 7 2 1 0 0 0 0 27 30 1 0 0 0 0 2 15 1 0 0 0 0 30 31 1 0 0 0 0 2 3 1 0 0 0 0 31 32 1 0 0 0 0 7 16 2 0 0 0 0 32 33 1 0 0 0 0 M END > CHEBI:66741 > PF 1163B > A macrolide antibiotic that is 4,10-dimethyl-1-oxa-4-azacyclotridecane-2,5-dione substituted by a 4-(2-hydroxyethoxy)benzyl group at position 3 and a pentyl group at position 13 (the 3S,10R,13S stereoisomer). It is isolated from Penicillium sp.PF1163 and exhibits antifungal activity against the pathogenic fungal strain Candida albicans TIMM1768. > 3 > (-)-PF 1163B > (3S,10R,13R)-3-[4-(2-hydroxyethoxy)benzyl]-4,10-dimethyl-13-pentyl-1-oxa-4-azacyclotridecane-2,5-dione > C27H43NO5 > 461.63400 > 461.31412 > 0 > CCCCC[C@@H]1CC[C@H](C)CCCCC(=O)N(C)[C@@H](Cc2ccc(OCCO)cc2)C(=O)O1 > InChI=1S/C27H43NO5/c1-4-5-6-10-24-15-12-21(2)9-7-8-11-26(30)28(3)25(27(31)33-24)20-22-13-16-23(17-14-22)32-19-18-29/h13-14,16-17,21,24-25,29H,4-12,15,18-20H2,1-3H3/t21-,24-,25+/m1/s1 > PCRJJAXIHTZHNU-SDUSCBPUSA-N > 8521076 > 10695680; 10724005; 10724006; 14572246 $$$$