Marvin 11121216342D 46 47 0 0 0 0 999 V2000 1.4406 -5.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -5.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 -5.1032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5855 -5.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3030 -5.1110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0166 -5.5266 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7342 -5.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4439 -5.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1615 -5.1227 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9299 -5.3777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2010 -4.3895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4435 -6.3579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0122 -6.3540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2939 -6.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2896 -7.5873 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5800 -6.3464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5751 -7.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0035 -8.0047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8611 -7.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8663 -6.7579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1573 -6.3406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4378 -6.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4365 -7.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1502 -7.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3073 -4.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7218 -7.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4358 -8.0124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7262 -6.7675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1541 -7.6024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8681 -8.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5825 -7.6061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8636 -8.8433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5868 -6.7827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3051 -6.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3024 -5.6278 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7139 -5.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2369 -5.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2964 -8.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2921 -8.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0060 -9.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5776 -9.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4315 -8.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0297 -5.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7306 -5.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0562 -4.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0193 -6.7858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 25 1 6 0 0 0 6 13 1 6 0 0 0 18 26 1 0 0 0 0 6 7 1 0 0 0 0 26 27 1 0 0 0 0 13 14 1 0 0 0 0 26 28 2 0 0 0 0 3 4 1 0 0 0 0 14 15 1 0 0 0 0 27 29 1 0 0 0 0 7 8 1 0 0 0 0 29 30 1 0 0 0 0 14 16 2 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 15 17 1 1 0 0 0 31 33 1 0 0 0 0 8 9 1 0 0 0 0 33 34 1 0 0 0 0 15 18 1 0 0 0 0 4 5 1 0 0 0 0 10 35 1 0 0 0 0 17 19 1 0 0 0 0 34 35 1 0 0 0 0 37 10 1 0 0 0 0 9 36 1 0 0 0 0 19 20 2 0 0 0 0 36 37 1 0 0 0 0 2 3 1 0 0 0 0 20 21 1 0 0 0 0 37 11 2 0 0 0 0 31 38 1 1 0 0 0 21 22 2 0 0 0 0 38 39 1 0 0 0 0 5 6 1 0 0 0 0 39 40 1 0 0 0 0 22 23 1 0 0 0 0 39 41 1 0 0 0 0 27 42 1 1 0 0 0 8 12 2 0 0 0 0 35 43 1 1 0 0 0 23 24 2 0 0 0 0 43 44 1 0 0 0 0 24 19 1 0 0 0 0 43 45 1 0 0 0 0 1 2 1 0 0 0 0 34 46 2 0 0 0 0 M END > CHEBI:65434 > arenamide B > A 19-membered cyclodepsipeptide that is isolated from the fermentation broth of marine actinomycete Salinispora arenicola; it has been found to block tumour necrosis factor (TNF)-induced activation of NFκB-Luc human embryonic kidney cells. > 3 > (3S,6S,9S,12S,19S)-3-benzyl-19-[(2S)-hexan-2-yl]-9-isobutyl-12-isopropyl-6-methyl-1-oxa-4,7,10,13,16-pentaazacyclononadecane-2,5,8,11,14,17-hexone > C34H53N5O7 > 643.81390 > 643.39450 > 0 > CCCC[C@H](C)[C@@H]1CC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O1 > InChI=1S/C34H53N5O7/c1-8-9-13-22(6)27-18-28(40)35-19-29(41)39-30(21(4)5)33(44)37-25(16-20(2)3)32(43)36-23(7)31(42)38-26(34(45)46-27)17-24-14-11-10-12-15-24/h10-12,14-15,20-23,25-27,30H,8-9,13,16-19H2,1-7H3,(H,35,40)(H,36,43)(H,37,44)(H,38,42)(H,39,41)/t22-,23-,25-,26-,27-,30-/m0/s1 > HVPYLVISSBODEY-GAXORZTASA-N > 19756156 > 19117399 $$$$