Marvin 07221311442D 51 55 0 0 0 0 999 V2000 0.3375 3.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4896 3.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8859 2.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4562 1.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3741 1.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7666 2.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2872 2.7358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8509 1.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6757 1.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0705 0.5069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6406 -0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0353 -0.9216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8158 -0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3858 -0.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 0.5475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4037 0.5678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7806 -1.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6037 -1.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9985 -2.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5684 -3.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7395 -3.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3485 -2.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3069 -3.7324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5176 -3.7092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9461 -4.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 -4.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1631 -3.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7261 -2.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9038 -2.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9877 -3.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3790 -2.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2036 -2.8885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9456 -2.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3369 -1.4845 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1210 -2.2351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6370 -3.5905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1615 -1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5528 -0.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1194 -0.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5124 0.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0797 1.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 1.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8632 0.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2982 -0.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9623 -3.7779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8232 -2.3677 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 -5.1374 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.4679 -2.2845 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7332 4.1486 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.4713 2.1222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3371 0.7180 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 0 0 0 0 1 2 2 0 0 0 0 1 49 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 8 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 42 7 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 17 18 2 0 0 0 0 22 17 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 29 24 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 2 0 0 0 0 29 48 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 36 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 34 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 44 39 1 0 0 0 0 40 41 1 0 0 0 0 40 51 1 0 0 0 0 41 42 2 0 0 0 0 41 50 1 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 M END > CHEBI:68323 > bastadin 5 > A macrocyclic lactam isolated from the marine sponge Ianthella and has been shown to exhibit calcium channel modulatory activity. > 3 > bastadin-5; 2,18-Dioxa-10,27-diazapentacyclo(28.2.2.2(14,17).1(3,7).1(19,23))octatriaconta-3,5,7(38),14,16,19,21,23(35),30,32,33,36-dodecaene-11,12,25,26-tetrone, 5,16,21,32,36-pentabromo-4,20-dihydroxy-, 12,25-dioxime > (12E,25E)-4,16,21,31,36-pentabromo-17,32-dihydroxy-12,25-bis(hydroxyimino)-2,19-dioxa-10,27-diazapentacyclo[28.2.2.2(20,23).1(3,7).1(14,18)]octatriaconta-1(32),3(38),4,6,14(37),15,17,20,22,30,33,35-dodecaene-11,26-dione > C34H27Br5N4O8 > 1019.12000 > 1013.77458 > 0 > O\N=C1/Cc2cc(Br)c(Oc3cc(C\C(C(=O)NCCc4ccc(Br)c(Oc5ccc(CCNC1=O)c(Br)c5O)c4)=N/O)cc(Br)c3O)c(Br)c2 > InChI=1S/C34H27Br5N4O8/c35-20-3-1-16-5-7-40-33(46)25(43-49)13-18-9-21(36)30(44)28(15-18)51-32-22(37)10-17(11-23(32)38)12-24(42-48)34(47)41-8-6-19-2-4-26(31(45)29(19)39)50-27(20)14-16/h1-4,9-11,14-15,44-45,48-49H,5-8,12-13H2,(H,40,46)(H,41,47)/b42-24+,43-25+ > RINLQEBBENMFQH-FFVIWPAXSA-N > 79067-75-7 > 4226459 > 79067-75-7 > 21214221 $$$$