Mrv1652304282208502D 61 64 0 0 1 0 999 V2000 2.1434 3.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 4.5375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 4.9500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0013 4.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0013 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 3.3000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7158 2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0013 2.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2868 2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5724 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7158 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4302 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1447 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1447 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8592 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0013 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2868 -2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0013 -2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7158 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8496 -0.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4623 -1.6212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 6.1875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2868 6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 7.8375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7158 7.4250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7158 6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 8.6625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.4750 0.0000 C 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 4 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 1 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 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 1 17 1 0 0 0 0 13 18 1 6 0 0 0 12 19 1 1 0 0 0 11 20 1 1 0 0 0 21 20 1 6 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 21 26 1 0 0 0 0 26 27 1 1 0 0 0 25 28 1 1 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 24 31 1 1 0 0 0 32 31 1 6 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 32 37 1 0 0 0 0 36 38 1 1 0 0 0 35 39 1 1 0 0 0 34 40 1 1 0 0 0 34 41 1 6 0 0 0 23 42 1 1 0 0 0 10 43 1 6 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 8 46 1 6 0 0 0 7 47 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 48 53 1 0 0 0 0 52 54 1 1 0 0 0 51 55 1 6 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 4 58 1 0 0 0 0 2 59 1 1 0 0 0 1 60 1 6 0 0 0 60 61 1 0 0 0 0 M END > NP0062177 > NP-MRD > CC[C@H]1OC(=O)C[C@H](O)[C@H](C)[C@H](O[C@H]2O[C@H](C)[C@H](O[C@H]3C[C@@](C)(O)[C@H](O)[C@H](C)O3)[C@@H]([C@@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@H]2CC[C@@H]([C@@H](C)O2)N(C)C)\C=C/C(/C)=C/[C@@H]1C > InChI=1S/C46H80N2O13/c1-14-35-26(3)21-25(2)15-17-36(59-38-18-16-33(47(10)11)29(6)55-38)27(4)22-32(19-20-49)42(28(5)34(50)23-37(51)58-35)61-45-41(52)40(48(12)13)43(30(7)57-45)60-39-24-46(9,54)44(53)31(8)56-39/h15,17,20-21,26-36,38-45,50,52-54H,14,16,18-19,22-24H2,1-13H3/b17-15-,25-21+/t26-,27+,28-,29+,30+,31-,32-,33-,34-,35+,36-,38-,39-,40+,41-,42-,43-,44+,45+,46+/m0/s1 > WPKBMQYWWGHYSV-VXWADZCHSA-N > C46H80N2O13 > 869.147 > 868.566040644 > 14 > 141 > 95.61732657559364 > 0 > 4 > 0 > 0 > 2-[(4S,5S,6R,7R,9R,10R,11Z,13E,15S,16R)-6-{[(2S,3S,4R,5R,6R)-5-{[(2S,4R,5R,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-10-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde > 3.72 > 4.153461608666667 > -4.08 > 1 > 4 > 2 > 13.175700206263297 > 12.551269070602068 > 9.279555989392438 > 186.15 > 231.09150000000005 > 11 > 0 > 7.24e-02 g/l > 2-[(4S,5S,6R,7R,9R,10R,11Z,13E,15S,16R)-6-{[(2S,3S,4R,5R,6R)-5-{[(2S,4R,5R,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-10-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde > 0 > NP0062177 > Chimeramycin B $$$$