Ketcher 09152111332D 1 1.00000 0.00000 0 44 45 0 1 0 999 V2000 12.1615 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0252 -8.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0194 -7.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1620 -5.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0202 -5.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8782 -5.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8782 -6.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1690 -4.4026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3109 -3.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3109 -2.9163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4528 -4.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4528 -5.3935 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5946 -3.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7364 -4.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7364 -5.3935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8783 -3.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0202 -4.4026 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.1621 -3.9072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7361 -7.3760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3042 -5.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3047 -4.4015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4457 -5.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5878 -5.3914 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4442 -7.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5858 -7.5540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3020 -7.5550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5884 -4.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0252 -9.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1671 -9.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3089 -9.1979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4435 -9.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5853 -9.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4434 -10.4926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7272 -9.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1671 -10.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0161 -9.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5206 -10.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5115 -10.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3089 -11.1797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0252 -11.1797 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0251 -12.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8833 -12.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8832 -13.6570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7414 -12.1706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 3 1 2 0 0 0 3 2 1 0 0 0 7 3 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 9 11 1 0 0 0 11 12 1 1 0 0 11 13 1 0 0 0 13 14 1 0 0 0 14 15 1 6 0 0 14 16 1 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 17 5 1 0 0 0 7 19 1 0 0 0 4 20 1 0 0 0 20 21 1 6 0 0 20 22 1 0 0 0 22 23 1 1 0 0 22 24 1 0 0 0 24 25 1 0 0 0 24 26 2 0 0 0 23 27 1 0 0 0 28 2 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 31 33 2 0 0 0 32 25 1 0 0 0 32 34 1 6 0 0 29 35 1 1 0 0 28 36 1 1 0 0 28 37 1 6 0 0 37 38 1 0 0 0 35 39 2 0 0 0 35 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 2 0 0 0 42 44 1 0 0 0 M END > CHEBI:167111 > ustiloxin B > A heterodetic cyclic peptide with formula C26H39N5O12S produced by Ustilaginoidea virens fungi. It is an inhibitor of microtubule assembly. > 3 > (4S)-5-{[(3R,4S,7S,10S,11R)-4-[(carboxymethyl)carbamoyl]-3-ethyl-11,15-dihydroxy-3,7-dimethyl-10-(methylamino)-6,9-dioxo-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-13-yl]sulfinyl}-4-hydroxy-L-norvaline > C26H39N5O12S > 645.680 > 645.23159 > 0 > CC[C@@]1(C)OC2=CC([C@@H](O)[C@H](NC)C(=O)N[C@@H](C)C(=O)N[C@@H]1C(=O)NCC(O)=O)=C(C=C2O)S(=O)C[C@@H](O)C[C@H](N)C(O)=O > InChI=1S/C26H39N5O12S/c1-5-26(3)21(24(39)29-9-18(34)35)31-22(37)11(2)30-23(38)19(28-4)20(36)13-7-16(43-26)15(33)8-17(13)44(42)10-12(32)6-14(27)25(40)41/h7-8,11-12,14,19-21,28,32-33,36H,5-6,9-10,27H2,1-4H3,(H,29,39)(H,30,38)(H,31,37)(H,34,35)(H,40,41)/t11-,12-,14-,19-,20+,21+,26+,44?/m0/s1 > BISPUFPESHDUKH-CEALTDAMSA-N > 151841-41-7 > 151841-41-7 > C00016647 > 24841822; 25414363; 26343725; 26842395; 27166860; 28208606; 28245594; 32211196; 32679089; 8071121; 9630863 $$$$