Marvin 02201308462D 50 52 0 0 0 0 999 V2000 11.0802 -22.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7893 -21.6530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5024 -22.0697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9262 -22.0756 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2158 -21.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0802 -22.8947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3727 -23.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3726 -24.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9227 -22.9006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6063 -24.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6255 -23.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0893 -24.5356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0924 -25.3517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8000 -25.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5274 -25.3131 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2233 -25.6962 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8988 -25.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8824 -24.4884 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7893 -20.8280 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5049 -20.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0736 -20.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0736 -19.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2017 -20.9236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6439 -21.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6482 -20.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3492 -22.9233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1832 -24.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6231 -25.6808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2407 -26.5210 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5339 -26.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9648 -26.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9822 -27.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8125 -26.5860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3778 -25.7660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3797 -26.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6576 -24.5392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7922 -23.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3634 -21.6592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3668 -20.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3715 -19.6111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6575 -19.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9415 -19.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9404 -20.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6626 -27.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6642 -27.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3813 -28.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0982 -27.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0932 -26.9970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7815 -22.4781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2170 -24.8706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24 25 1 0 0 0 0 3 2 1 0 0 0 0 11 26 2 0 0 0 0 18 27 1 0 0 0 0 12 13 1 0 0 0 0 17 28 2 0 0 0 0 13 14 1 0 0 0 0 16 29 1 0 0 0 0 14 15 1 0 0 0 0 29 30 1 1 0 0 0 1 6 1 0 0 0 0 29 31 1 0 0 0 0 6 7 1 0 0 0 0 31 32 1 0 0 0 0 7 8 1 0 0 0 0 14 33 2 0 0 0 0 8 12 1 0 0 0 0 13 34 1 1 0 0 0 15 16 1 0 0 0 0 34 35 1 0 0 0 0 16 17 1 0 0 0 0 8 36 2 0 0 0 0 17 18 1 0 0 0 0 6 37 1 0 0 0 0 1 2 1 0 0 0 0 1 38 2 0 0 0 0 2 19 1 0 0 0 0 25 39 2 0 0 0 0 3 5 1 0 0 0 0 39 40 1 0 0 0 0 19 20 1 1 0 0 0 40 41 2 0 0 0 0 9 4 1 0 0 0 0 41 42 1 0 0 0 0 19 21 1 0 0 0 0 42 43 2 0 0 0 0 43 25 1 0 0 0 0 9 11 1 0 0 0 0 35 44 2 0 0 0 0 21 22 1 0 0 0 0 44 45 1 0 0 0 0 18 10 1 0 0 0 0 45 46 2 0 0 0 0 5 23 2 0 0 0 0 46 47 1 0 0 0 0 10 11 1 0 0 0 0 47 48 2 0 0 0 0 48 35 1 0 0 0 0 4 24 1 1 0 0 0 2 49 1 1 0 0 0 4 5 1 0 0 0 0 16 50 1 1 0 0 0 M END > CHEBI:66016 > hirsutellide A > A cyclodepsipeptide isolated from the cell extract of the entomopathogenic fungus Hirsutella kobayasii BCC 1660 and exhibits antimycobacterial and antimalarial activities. > 3 > (6S,9R,15S,18R)-9,18-dibenzyl-6,15-di[(2R)-butan-2-yl]-4,13-dimethyl-1,10-dioxa-4,7,13,16-tetraazacyclooctadecane-2,5,8,11,14,17-hexone > C36H48N4O8 > 664.78830 > 664.34721 > 0 > [H][C@]1(NC(=O)[C@@H](Cc2ccccc2)OC(=O)CN(C)C(=O)[C@@]([H])(NC(=O)[C@@H](Cc2ccccc2)OC(=O)CN(C)C1=O)[C@H](C)CC)[C@H](C)CC > InChI=1S/C36H48N4O8/c1-7-23(3)31-35(45)39(5)21-29(41)48-28(20-26-17-13-10-14-18-26)34(44)38-32(24(4)8-2)36(46)40(6)22-30(42)47-27(33(43)37-31)19-25-15-11-9-12-16-25/h9-18,23-24,27-28,31-32H,7-8,19-22H2,1-6H3,(H,37,43)(H,38,44)/t23-,24-,27-,28-,31+,32+/m1/s1 > PMRINUPHTRWJOC-BZPSDGNJSA-N > 9309812 > 12350163; 18007294 $$$$