Ketcher 07131815422D 1 1.00000 0.00000 0 64 65 0 0 0 999 V2000 19.9249 1.8093 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7909 1.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0588 0.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0588 1.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6569 1.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5230 1.3093 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.3890 1.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2551 1.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2551 0.3093 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.1211 -0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1211 -1.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2551 -1.6908 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.2551 -2.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3890 -3.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5229 -2.6909 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.6568 -3.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7907 -2.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9246 -3.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0585 -2.6909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0585 -1.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1924 -1.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1924 -0.1907 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9249 -0.1908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7909 0.3093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3890 2.8093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9872 0.3093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1211 -3.1909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6568 -4.1909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9245 -1.1908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3890 -4.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9872 -1.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1211 1.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6569 2.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1928 1.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9246 -4.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0586 -4.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1926 -4.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3265 -4.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4605 -4.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5945 -4.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7285 -4.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8624 -4.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9964 -4.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1304 -4.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2644 -4.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3983 -4.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7906 -4.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5230 -4.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2550 -4.6909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5229 3.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5229 4.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3890 4.8093 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.6569 4.8093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1928 2.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3268 3.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3268 4.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1928 4.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0588 4.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0588 3.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1928 5.8093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3264 -1.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4603 -1.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5943 -1.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3264 -2.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 3 4 1 0 0 0 4 1 1 0 0 0 2 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 1 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 1 0 0 22 3 1 0 0 0 3 23 2 0 0 0 2 24 2 0 0 0 7 25 2 0 0 0 10 26 2 0 0 0 13 27 2 0 0 0 16 28 2 0 0 0 20 29 2 0 0 0 14 30 1 0 0 0 11 31 1 1 0 0 8 32 1 1 0 0 5 33 1 1 0 0 4 34 1 1 0 0 18 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 35 47 1 1 0 0 30 48 1 0 0 0 30 49 1 1 0 0 33 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 51 53 2 0 0 0 34 54 1 0 0 0 54 55 1 0 0 0 55 56 2 0 0 0 56 57 1 0 0 0 57 58 2 0 0 0 58 59 1 0 0 0 59 54 2 0 0 0 57 60 1 0 0 0 21 61 1 0 0 0 61 62 1 0 0 0 62 63 1 0 0 0 61 64 1 1 0 0 M END > CHEBI:141356 > fusaripeptide A > 2 > C46H75N7O11 > 902.130 > 901.55246 > 0 > N1C([C@H](NC([C@H](NC([C@H](NC(C(NC(C[C@H](OC([C@H](NC([C@H]1CC=2C=CC(=CC2)O)=O)[C@H](CC)C)=O)[C@H](CCCCCCCCCCC)C)=O)[C@H](C)O)=O)C)=O)C)=O)CCC(N)=O)=O > InChI=1S/C46H75N7O11/c1-8-10-11-12-13-14-15-16-17-18-28(4)36-26-38(57)52-40(31(7)54)45(62)49-29(5)41(58)48-30(6)42(59)50-34(23-24-37(47)56)43(60)51-35(25-32-19-21-33(55)22-20-32)44(61)53-39(27(3)9-2)46(63)64-36/h19-22,27-31,34-36,39-40,54-55H,8-18,23-26H2,1-7H3,(H2,47,56)(H,48,58)(H,49,62)(H,50,59)(H,51,60)(H,52,57)(H,53,61)/t27-,28-,29+,30+,31-,34+,35+,36-,39+,40?/m0/s1 > ACZADZDITGHQQJ-AUTDNOAOSA-N > 28446036 $$$$