Mrv0541 10311313262D 47 55 0 0 0 0 999 V2000 0.7204 -0.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6901 -2.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5758 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5758 -4.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9450 -3.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2421 -1.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2904 -3.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2904 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7520 -3.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -0.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3844 -1.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2743 -2.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7137 1.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -1.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0491 -1.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0052 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0052 -4.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3040 -2.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2743 -4.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2201 -0.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7734 -2.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2164 1.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7734 -4.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7895 -3.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0020 -0.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0593 -3.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4302 0.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4881 -3.8870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7895 -4.8096 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0026 0.8526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4339 -0.0595 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4881 -3.0623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1294 -2.5661 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0593 -3.8870 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0008 0.8367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2226 -1.3354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7734 -1.8242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2158 2.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7734 -5.1244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6212 0.5408 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3766 -3.6119 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1119 0.8410 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0119 -3.6119 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 1.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2025 -2.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2025 -4.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2026 -5.1244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 15 2 0 0 0 0 7 16 2 0 0 0 0 8 17 2 0 0 0 0 9 18 2 0 0 0 0 10 14 1 0 0 0 0 10 25 1 0 0 0 0 11 14 2 0 0 0 0 11 33 1 0 0 0 0 12 24 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 24 1 0 0 0 0 17 29 1 0 0 0 0 18 33 1 0 0 0 0 19 24 1 0 0 0 0 19 29 1 0 0 0 0 19 34 1 0 0 0 0 20 25 1 0 0 0 0 20 31 1 0 0 0 0 20 36 2 0 0 0 0 21 26 1 0 0 0 0 21 32 1 0 0 0 0 21 37 2 0 0 0 0 22 27 1 0 0 0 0 22 30 1 0 0 0 0 22 38 2 0 0 0 0 23 28 1 0 0 0 0 23 34 1 0 0 0 0 23 39 2 0 0 0 0 24 33 1 0 0 0 0 25 30 1 0 0 0 0 25 40 1 0 0 0 0 26 34 1 0 0 0 0 26 41 1 0 0 0 0 27 31 1 0 0 0 0 27 42 1 0 0 0 0 28 32 1 0 0 0 0 28 43 1 0 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 30 44 1 0 0 0 0 32 45 1 0 0 0 0 28 46 1 0 0 0 0 46 47 1 0 0 0 0 M END > CHEBI:68741 > chetomin > An organic heteropentacyclic compound of the class of epipolythiodioxopiperazine. Isolated from Chaetomium globosum and Farrowia seminuda, it exhibits immunosuppressive activity. > 3 > 3-(hydroxymethyl)-10b-(3-{[4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]oct-1-yl]methyl}-1H-indol-1-yl)-2-methyl-2,3,5a,6,10b,11-hexahydro-3,11a-epidithiopyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4-dione > C31H30N6O6S4 > 710.86700 > 710.11097 > 0 > CN1C(=O)C23CC4(C(Nc5ccccc45)N2C(=O)C1(CO)SS3)n1cc(CC23SSC(CO)(N(C)C2=O)C(=O)N3C)c2ccccc12 > InChI=1S/C31H30N6O6S4/c1-33-25(42)30(15-38)34(2)23(40)28(33,44-46-30)12-17-13-36(21-11-7-4-8-18(17)21)27-14-29-24(41)35(3)31(16-39,47-45-29)26(43)37(29)22(27)32-20-10-6-5-9-19(20)27/h4-11,13,22,32,38-39H,12,14-16H2,1-3H3 > ZRZWBWPDBOVIGQ-UHFFFAOYSA-N > 1403-36-7 > 5722511 > 1403-36-7 > 14738397 $$$$