Marvin 04221315012D 54 55 0 0 0 0 999 V2000 6.2656 -12.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4401 -12.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8508 -13.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6275 -9.6233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3406 -9.2084 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0536 -9.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4811 -9.6335 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7669 -9.2133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6275 -10.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9288 -10.8613 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9309 -11.6786 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4777 -10.4589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1679 -11.6958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1823 -10.8737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6391 -12.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6396 -12.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3461 -13.3022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0596 -12.8657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7516 -13.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4409 -12.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0514 -10.4488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3442 -10.8618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7592 -10.8642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7366 -11.6328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7535 -14.0918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9280 -13.3048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3406 -8.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1988 -9.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9122 -9.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2032 -8.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9208 -7.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8680 -12.1360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5980 -11.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2940 -12.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6275 -10.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -12.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2117 -10.4535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4979 -10.8670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2193 -10.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5012 -11.6926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2207 -9.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9369 -9.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6518 -9.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 -10.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9291 -10.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9224 -11.6998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3582 -10.8863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0727 -10.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7851 -10.8969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3550 -14.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6440 -14.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6571 -15.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9283 -14.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4805 -8.7779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 14 1 0 0 0 0 5 27 1 1 0 0 0 20 13 1 0 0 0 0 7 28 1 0 0 0 0 13 14 1 0 0 0 0 28 29 1 0 0 0 0 6 8 1 0 0 0 0 28 30 1 0 0 0 0 12 7 1 0 0 0 0 30 31 1 0 0 0 0 7 8 1 0 0 0 0 13 32 1 1 0 0 0 15 16 1 0 0 0 0 32 33 1 0 0 0 0 16 17 1 0 0 0 0 33 34 1 0 0 0 0 17 18 1 0 0 0 0 33 35 1 0 0 0 0 2 1 1 0 0 0 0 11 36 1 6 0 0 0 4 5 1 0 0 0 0 10 37 1 6 0 0 0 6 5 1 0 0 0 0 37 38 1 0 0 0 0 18 19 1 0 0 0 0 38 39 1 0 0 0 0 19 2 1 0 0 0 0 38 40 2 0 0 0 0 2 20 1 0 0 0 0 39 41 2 0 0 0 0 9 10 1 0 0 0 0 41 42 1 0 0 0 0 6 21 2 0 0 0 0 42 43 2 0 0 0 0 10 11 1 0 0 0 0 43 44 1 0 0 0 0 9 22 2 0 0 0 0 44 45 2 0 0 0 0 45 39 1 0 0 0 0 11 15 1 0 0 0 0 45 46 1 0 0 0 0 12 23 2 0 0 0 0 44 47 1 0 0 0 0 3 2 1 0 0 0 0 47 48 1 0 0 0 0 20 24 2 0 0 0 0 48 49 2 0 0 0 0 4 9 1 0 0 0 0 17 50 1 1 0 0 0 19 25 2 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 16 26 2 0 0 0 0 51 53 1 0 0 0 0 7 54 1 6 0 0 0 M END > CHEBI:66299 > respirantin > A cyclodepsipeptide isolated from Streptomyces and Kitasatospora and has been shown to exhibit antimicrobial and antineoplastic activity. > 3 > cyclodepsipeptide 1 > N-[(2S,5S,8S,13S,16R,17S)-5-(butan-2-yl)-2,10,10,16-tetramethyl-8,13-bis(2-methylpropyl)-3,6,9,11,14,18-hexaoxo-1,4,12,15-tetraoxa-7-azacyclooctadecan-17-yl]-3-(formylamino)-2-hydroxybenzamide > C37H53N3O13 > 747.82900 > 747.35784 > 0 > [H][C@]1(OC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)C(=O)[C@H](CC(C)C)NC1=O)C(C)CC > InChI=1S/C37H53N3O13/c1-11-20(6)29-32(45)39-25(15-18(2)3)30(43)37(9,10)36(49)52-26(16-19(4)5)34(47)50-21(7)27(35(48)51-22(8)33(46)53-29)40-31(44)23-13-12-14-24(28(23)42)38-17-41/h12-14,17-22,25-27,29,42H,11,15-16H2,1-10H3,(H,38,41)(H,39,45)(H,40,44)/t20?,21-,22+,25+,26+,27+,29+/m1/s1 > HJNZTHHOZWMVPB-WCSXKIRISA-N > 11184596 > 17608530; 17608531; 8501018 $$$$