Mrv1652309122216452D 62 63 0 0 0 0 999 V2000 11.4170 18.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5920 18.4326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1795 17.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5920 17.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3545 17.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8696 18.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0850 18.1306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0850 17.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4175 16.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4175 15.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6329 15.7408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1480 16.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3230 16.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9105 15.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0855 15.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 14.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8480 14.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4355 15.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4355 14.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6105 14.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 13.5503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6105 12.8358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 12.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 13.5503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0395 14.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0395 12.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8645 12.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 12.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8645 11.4069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 12.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5145 12.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5145 11.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3395 11.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7520 10.6924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5770 10.6924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9895 9.9780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5770 9.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8145 9.9780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2270 9.2635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 10.6924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5145 9.9780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8480 13.5503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4355 12.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7681 12.3509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8480 12.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4355 11.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6105 11.4069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8480 10.6924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4355 9.9780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8480 9.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4355 8.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6105 8.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8480 7.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 7.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4355 7.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6105 7.1201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 6.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8480 6.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 6.4056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4355 5.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6329 17.0756 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8696 17.0507 0.0000 N 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 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 38 39 2 0 0 0 0 32 40 1 0 0 0 0 40 41 1 0 0 0 0 19 42 1 0 0 0 0 42 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 46 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 51 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 55 58 1 0 0 0 0 58 59 2 0 0 0 0 58 60 1 0 0 0 0 12 61 2 0 0 0 0 9 61 1 0 0 0 0 8 62 2 0 0 0 0 5 62 1 0 0 0 0 M END > NP0329903 > NP-MRD > COC(CC(OC(=O)CC(O)C\C=C\C(=O)C(C)C(OC)C(O)=N)C(C)CC\C=C\C1=NC(=CO1)C1=NC(=CO1)C(=O)OC)C(C)CCC(=O)C(C)C(C\C=C\N(C)C=O)OC > InChI=1S/C44H64N4O14/c1-27(14-10-11-18-39-46-32(24-60-39)43-47-33(25-61-43)44(55)59-9)38(62-40(53)22-31(50)15-12-16-34(51)30(4)41(58-8)42(45)54)23-37(57-7)28(2)19-20-35(52)29(3)36(56-6)17-13-21-48(5)26-49/h11-13,16,18,21,24-31,36-38,41,50H,10,14-15,17,19-20,22-23H2,1-9H3,(H2,45,54)/b16-12+,18-11+,21-13+ > UFRHNFYNJYFNGW-JKQLDQSBSA-N > C44H64N4O14 > 873.01 > 872.441902757 > 13 > 126 > 95.402995870247 > 0 > 3 > 0 > 0 > (5E)-10-{[(1E,16E)-8,14-dimethoxy-1-{4-[4-(methoxycarbonyl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl}-5,9,13-trimethyl-17-(N-methylformamido)-12-oxoheptadeca-1,16-dien-6-yl]oxy}-8-hydroxy-2-methoxy-3-methyl-4,10-dioxodec-5-enimidic acid > 2.3546826495821525 > 0 > 2 > 0 > 14.946296002094808 > -2.820630806354263 > 12.70620588710653 > 251.10999999999996 > 249.36100000000005 > 32 > 0 > (5E)-10-{[(1E,16E)-8,14-dimethoxy-1-{4-[4-(methoxycarbonyl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl}-5,9,13-trimethyl-17-(N-methylformamido)-12-oxoheptadeca-1,16-dien-6-yl]oxy}-8-hydroxy-2-methoxy-3-methyl-4,10-dioxodec-5-enimidic acid > 0 > NP0329903 > (5e)-10-{[(1e,16e)-8,14-dimethoxy-1-{4-[4-(methoxycarbonyl)-1,3-oxazol-2-yl]-1,3-oxazol-2-yl}-5,9,13-trimethyl-17-(n-methylformamido)-12-oxoheptadeca-1,16-dien-6-yl]oxy}-8-hydroxy-2-methoxy-3-methyl-4,10-dioxodec-5-enimidic acid $$$$