Mrv1652309052201092D 62 63 0 0 0 0 999 V2000 -3.7402 1.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9733 1.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4045 0.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6026 0.6128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6376 -0.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1343 -1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6005 -1.7068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3919 -1.4738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0457 -1.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9367 -2.7948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5905 -3.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4815 -4.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7188 -4.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0651 -3.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6099 -5.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2636 -5.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0263 -5.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1352 -4.6190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8979 -4.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6800 -5.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5711 -6.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4427 -5.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0964 -6.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8591 -5.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9681 -4.9965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5129 -6.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4039 -7.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2756 -6.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9293 -6.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8203 -7.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4741 -7.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3651 -8.6450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.6024 -8.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0188 -9.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9099 -9.9660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3845 -5.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7308 -4.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8472 -5.5626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1934 -5.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3024 -4.2416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4307 -5.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 -4.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8860 -4.0529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0143 -5.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3606 -4.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4021 -4.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0559 -4.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8185 -4.8078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9469 -3.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1842 -3.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6006 -3.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3633 -3.4867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4723 -4.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -2.3544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 -1.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9151 -1.1505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7329 -1.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1254 -0.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9501 -0.2930 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6933 0.3869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0892 -1.7856 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4148 -0.6491 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 1 0 0 0 0 13 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 18 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 28 36 1 0 0 0 0 36 37 1 0 0 0 0 15 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 47 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 51 54 1 0 0 0 0 54 55 2 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 60 2 0 0 0 0 57 61 2 0 0 0 0 54 61 1 0 0 0 0 8 62 2 0 0 0 0 5 62 1 0 0 0 0 M END > NP0203650 > NP-MRD > COC(CC(OC(=O)CC(O)C\C=C\C(=O)C(C)C(OC)C1=COC(=N1)C(N)=O)C(C)CC\C=C\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(14-10-11-18-39-46-33(25-60-39)44(55)59-9)38(23-37(57-7)28(2)19-20-35(52)29(3)36(56-6)17-13-21-48(5)26-49)62-40(53)22-31(50)15-12-16-34(51)30(4)41(58-8)32-24-61-43(47-32)42(45)54/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+ > ZXRAPGWKFNGPQU-JKQLDQSBSA-N > C44H64N4O14 > 873.01 > 872.441902757 > 12 > 126 > 94.62046991590219 > 0 > 2 > 0 > 0 > methyl 2-[(1E,16E)-6-{[(5E)-9-(2-carbamoyl-1,3-oxazol-4-yl)-3-hydroxy-9-methoxy-8-methyl-7-oxonon-5-enoyl]oxy}-8,14-dimethoxy-5,9,13-trimethyl-17-(N-methylformamido)-12-oxoheptadeca-1,16-dien-1-yl]-1,3-oxazole-4-carboxylate > 3.9324736426666647 > 0 > 2 > 0 > 14.94345366062538 > 11.55483006322647 > -2.0166134285000985 > 250.12 > 228.43400000000003 > 32 > 0 > methyl 2-[(1E,16E)-6-{[(5E)-9-(2-carbamoyl-1,3-oxazol-4-yl)-3-hydroxy-9-methoxy-8-methyl-7-oxonon-5-enoyl]oxy}-8,14-dimethoxy-5,9,13-trimethyl-17-(N-methylformamido)-12-oxoheptadeca-1,16-dien-1-yl]-1,3-oxazole-4-carboxylate > 0 > NP0203650 > methyl 2-[(1e,16e)-6-{[(5e)-9-(2-carbamoyl-1,3-oxazol-4-yl)-3-hydroxy-9-methoxy-8-methyl-7-oxonon-5-enoyl]oxy}-8,14-dimethoxy-5,9,13-trimethyl-17-(n-methylformamido)-12-oxoheptadeca-1,16-dien-1-yl]-1,3-oxazole-4-carboxylate $$$$