Mrv1652309032219442D 64 68 0 0 0 0 999 V2000 5.5254 -1.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3314 -1.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5824 -2.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8866 -0.7782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6356 0.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1907 0.6180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9617 0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0927 -0.4904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6015 0.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3725 0.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0124 1.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5035 -0.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4705 1.6594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1809 2.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8994 1.6736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1727 2.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8831 3.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6016 2.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3119 3.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0305 2.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0386 2.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7571 1.7019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3283 1.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6097 2.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4542 3.3094 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7145 2.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5691 4.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3340 4.4353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9190 4.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0339 5.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7988 5.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9137 6.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6787 6.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3287 6.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2139 5.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4489 5.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1541 4.3253 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5870 4.9245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8223 5.7152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7845 4.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5491 3.9422 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0699 3.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7271 3.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2556 4.5495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3765 3.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5869 2.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5704 2.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1177 1.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8480 2.4486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3900 1.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5905 1.5589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7553 1.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2973 0.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4741 0.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0161 -0.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1928 -0.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8275 0.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0043 0.5505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2855 1.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1088 1.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5786 0.9692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0865 1.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8295 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2744 -0.4270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 6 5 1 4 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 13 9 1 4 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 18 24 1 0 0 0 0 16 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 31 36 1 0 0 0 0 37 29 1 4 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 45 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 50 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 57 58 1 0 0 0 0 57 59 1 0 0 0 0 59 60 2 0 0 0 0 54 60 1 0 0 0 0 52 61 1 0 0 0 0 61 62 1 0 0 0 0 61 63 1 0 0 0 0 5 63 1 0 0 0 0 63 64 2 0 0 0 0 M END > NP0179542 > NP-MRD > CC(C)CC1N=C(O)C(N=C(O)C(CC2=CC=C(O)C=C2)N(C)C(=O)C(CC2=CC=CC=C2)N=C(O)CN(C)C(=O)C2CCCN2C(=O)C(CC2=CC=C(O)C=C2)N(C)C1=O)C(C)C > InChI=1S/C48H63N7O9/c1-29(2)24-36-45(61)54(7)40(27-33-17-21-35(57)22-18-33)48(64)55-23-11-14-38(55)47(63)52(5)28-41(58)49-37(25-31-12-9-8-10-13-31)46(62)53(6)39(26-32-15-19-34(56)20-16-32)43(59)51-42(30(3)4)44(60)50-36/h8-10,12-13,15-22,29-30,36-40,42,56-57H,11,14,23-28H2,1-7H3,(H,49,58)(H,50,60)(H,51,59) > TVUQOKHAWVQQCR-UHFFFAOYSA-N > C48H63N7O9 > 882.072 > 881.468726637 > 12 > 127 > 93.38238261462789 > 0 > 5 > 0 > 0 > 6-benzyl-4,10,13-trihydroxy-9,18-bis[(4-hydroxyphenyl)methyl]-2,8,17-trimethyl-15-(2-methylpropyl)-12-(propan-2-yl)-1H,2H,3H,6H,7H,8H,9H,12H,15H,16H,17H,18H,19H,21H,22H,23H,23aH-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosane-1,7,16,19-tetrone > 5.581562769333331 > 1 > 5 > 0 > 4.38778233680109 > 3.70157601192778 > 1.6805008211957972 > 219.47 > 241.0202 > 9 > 0 > 6-benzyl-4,10,13-trihydroxy-9,18-bis[(4-hydroxyphenyl)methyl]-12-isopropyl-2,8,17-trimethyl-15-(2-methylpropyl)-3H,6H,9H,12H,15H,18H,21H,22H,23H,23aH-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosane-1,7,16,19-tetrone > 0 > NP0179542 > 6-benzyl-4,10,13-trihydroxy-9,18-bis[(4-hydroxyphenyl)methyl]-12-isopropyl-2,8,17-trimethyl-15-(2-methylpropyl)-3h,6h,9h,12h,15h,18h,21h,22h,23h,23ah-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosane-1,7,16,19-tetrone $$$$