CDK 1030232203 60 62 0 0 0 0 0 0 0 0999 V2000 6.2737 1.6605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3191 0.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5141 0.6563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1391 0.7460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8112 0.2243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8852 0.3939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3636 1.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2901 0.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4765 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3553 1.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1633 1.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7883 2.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9975 -1.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1413 0.3073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8490 -0.9174 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5723 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1878 -1.0270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9748 -2.0098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9623 -1.7346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6364 -0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2211 -2.7972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8042 -2.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2434 -1.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7096 -3.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4849 -3.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5768 -2.8336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 -3.2588 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0629 -2.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0308 -0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1344 -4.0533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3876 -3.9320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7943 -2.7185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7696 -3.8006 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1720 -3.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1815 -4.1565 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0582 -3.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8397 -1.8947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9277 -4.6103 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0052 -4.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3302 -4.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0907 -4.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3675 -2.6398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1491 -1.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7080 -4.8782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1856 -4.9161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3352 -5.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7555 -5.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4130 -1.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7223 -1.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7678 -0.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 6 0 0 0 8 5 1 0 0 0 0 5 9 1 1 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 1 0 0 0 8 15 1 0 0 0 0 10 16 2 0 0 0 0 17 10 1 0 0 0 0 14 18 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 6 0 0 0 18 23 2 0 0 0 0 24 18 1 0 0 0 0 25 20 1 0 0 0 0 21 26 1 0 0 0 0 22 27 1 0 0 0 0 24 28 1 6 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 25 31 1 1 0 0 0 26 32 2 0 0 0 0 33 26 1 0 0 0 0 27 34 1 0 0 0 0 27 35 1 0 0 0 0 28 36 1 0 0 0 0 29 37 1 0 0 0 0 29 38 1 0 0 0 0 30 39 2 0 0 0 0 30 40 1 0 0 0 0 31 41 1 0 0 0 0 33 42 1 6 0 0 0 33 43 1 0 0 0 0 36 44 2 0 0 0 0 45 40 1 0 0 0 0 41 46 2 0 0 0 0 41 47 1 0 0 0 0 42 48 1 0 0 0 0 42 49 1 0 0 0 0 43 50 1 0 0 0 0 45 51 1 1 0 0 0 46 52 1 0 0 0 0 47 53 2 0 0 0 0 48 54 1 0 0 0 0 49 55 2 0 0 0 0 51 56 1 0 0 0 0 51 57 1 0 0 0 0 52 58 2 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 45 49 1 0 0 0 0 50 54 1 0 0 0 0 53 58 1 0 0 0 0 M END > CHEBI:227472 > Marformycin F > 2 > (2S)-2-ormamido-N-[(3R,6R,9S,10R,13S,16S,19S)-6-[(4-methoxyphenyl)methyl]-10,14-dimethyl-16-(2-methylpropyl)-2,5,8,12,15,18-hexaoxo-3,13-di(propan-2-yl)-11-oxa-1,4,7,14,17,23-hexazabicyclo[17.4.0]tricosan-9-yl]-3-methylbutanamide > C42H66N8O10 > 843.036 > 842.49019 > 0 > O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC=O)C(C)C)C(=O)N[C@@H](C(=O)N[C@H](C(C)C)C(N2[C@H](C(N[C@H](C(N([C@H]1C(C)C)C)=O)CC(C)C)=O)CCCN2)=O)CC3=CC=C(OC)C=C3)C > InChI=1S/C42H66N8O10/c1-22(2)19-30-40(56)49(10)35(25(7)8)42(58)60-26(9)34(48-38(54)32(23(3)4)43-21-51)39(55)45-29(20-27-14-16-28(59-11)17-15-27)36(52)47-33(24(5)6)41(57)50-31(37(53)46-30)13-12-18-44-50/h14-17,21-26,29-35,44H,12-13,18-20H2,1-11H3,(H,43,51)(H,45,55)(H,46,53)(H,47,52)(H,48,54)/t26-,29-,30+,31+,32+,33-,34+,35+/m1/s1 > YHBUARZUCVRARP-RTQHVXCCSA-N $$$$