CDK 1030232202 56 56 0 0 0 0 0 0 0 0999 V2000 17.1477 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4332 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7187 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4332 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0042 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.1477 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7187 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2897 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0042 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8621 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1477 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7187 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2897 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5753 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2897 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4332 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8608 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1462 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1462 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4318 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7173 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0029 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7173 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0029 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2883 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4318 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0029 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5738 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2883 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8594 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5738 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8594 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1449 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8594 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4304 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8594 -2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4304 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1449 -2.8876 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1449 -3.7126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7159 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 2.4751 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 O 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 2 4 1 0 0 0 0 5 3 1 6 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 2 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 11 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 20 1 1 0 0 0 21 22 1 0 0 0 0 23 21 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 26 1 1 0 0 0 23 27 1 0 0 0 0 28 25 1 1 0 0 0 25 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 30 32 2 0 0 0 0 30 33 1 0 0 0 0 31 34 1 0 0 0 0 35 33 1 6 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 36 39 1 0 0 0 0 37 40 2 0 0 0 0 37 41 1 0 0 0 0 38 42 1 0 0 0 0 39 43 1 0 0 0 0 44 41 1 6 0 0 0 42 45 1 0 0 0 0 44 46 1 0 0 0 0 44 47 1 0 0 0 0 45 48 1 0 0 0 0 46 49 2 0 0 0 0 46 50 1 0 0 0 0 47 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 55 56 2 0 0 0 0 12 16 1 0 0 0 0 M END > CHEBI:221212 > Frankobactin B3 > 2 > C33H53N9O14 > 799.836 > 799.37120 > 0 > O=C(N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCN(O)C=O)CCCN)CCCNO)C)[C@H](O)C)CO)C1=C(O)C=CC=C1 > InChI=1S/C33H53N9O14/c1-19(45)27(40-26(47)16-35-29(49)23(17-43)39-28(48)20-8-3-4-12-25(20)46)32(52)41(2)24(11-6-14-36-55)31(51)37-21(9-5-13-34)30(50)38-22(33(53)54)10-7-15-42(56)18-44/h3-4,8,12,18-19,21-24,27,36,43,45-46,55-56H,5-7,9-11,13-17,34H2,1-2H3,(H,35,49)(H,37,51)(H,38,50)(H,39,48)(H,40,47)(H,53,54)/t19-,21+,22+,23+,24+,27-/m1/s1 > FODDHTHRAYJPCC-OUBBJWQNSA-N $$$$