CDK 1030232202 60 63 0 0 0 0 0 0 0 0999 V2000 5.0014 2.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3229 1.3348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8579 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0819 0.0781 0.0000 C 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 2.2893 2.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6501 -0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4690 0.9163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5982 -1.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2158 1.0453 0.0000 C 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 2.1435 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0014 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 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 4.2869 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0705 2.5480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -1.2375 0.0000 C 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 3.5724 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2869 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 3.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 3.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.6501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6748 0.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7973 -0.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.7126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 4.5376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 3.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4304 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7943 -1.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1449 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4304 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 5.7751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 4.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1449 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8593 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 6.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8593 -1.6501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 5.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 7.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3974 4.9501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9849 4.2356 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 7.8593 -2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 6.1876 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 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 6 0 0 0 6 9 1 0 0 0 0 10 6 1 0 0 0 0 7 11 1 0 0 0 0 10 12 1 6 0 0 0 13 10 1 0 0 0 0 11 14 2 0 0 0 0 12 15 1 0 0 0 0 13 16 1 6 0 0 0 17 13 1 0 0 0 0 14 18 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 6 0 0 0 17 21 1 0 0 0 0 18 22 2 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 20 25 1 0 0 0 0 20 26 2 0 0 0 0 27 21 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 24 31 1 0 0 0 0 25 32 2 0 0 0 0 27 33 1 1 0 0 0 28 34 1 0 0 0 0 29 35 1 0 0 0 0 29 36 1 0 0 0 0 31 37 1 0 0 0 0 34 38 1 0 0 0 0 35 39 1 0 0 0 0 37 40 1 0 0 0 0 37 41 1 0 0 0 0 38 42 1 0 0 0 0 38 43 1 0 0 0 0 39 44 1 0 0 0 0 42 45 1 0 0 0 0 43 46 1 0 0 0 0 44 47 1 0 0 0 0 44 48 1 0 0 0 0 45 49 1 0 0 0 0 45 50 1 0 0 0 0 47 51 1 0 0 0 0 48 52 1 0 0 0 0 49 53 1 0 0 0 0 51 54 1 0 0 0 0 51 55 1 0 0 0 0 52 56 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 53 59 1 0 0 0 0 54 60 1 0 0 0 0 27 28 1 0 0 0 0 31 35 1 0 0 0 0 46 49 1 0 0 0 0 52 54 1 0 0 0 0 M END > CHEBI:220633 > 17-Methylenespiramycin > 2 > 2-[(5S,6S,7R,9R,11Z,13Z,16R)-6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]prop-2-enal > C44H74N2O14 > 855.076 > 854.51401 > 0 > O=C1O[C@@H](CC=CC=CC(OC2OC(C(N(C)C)CC2)C)[C@@H](C[C@@H]([C@@H]([C@H](C(C1)O)OC)OC3OC(C(OC4OC(C(O)C(C4)(O)C)C)C(C3O)N(C)C)C)C(C=O)=C)C)C > InChI=1S/C44H74N2O14/c1-24-20-30(25(2)23-47)40(60-43-38(50)37(46(10)11)39(28(5)57-43)59-36-22-44(7,52)42(51)29(6)56-36)41(53-12)32(48)21-34(49)54-26(3)16-14-13-15-17-33(24)58-35-19-18-31(45(8)9)27(4)55-35/h13-15,17,23-24,26-33,35-43,48,50-52H,2,16,18-22H2,1,3-12H3/b14-13-,17-15-/t24-,26-,27?,28?,29?,30-,31?,32?,33?,35?,36?,37?,38?,39?,40+,41+,42?,43?,44?/m1/s1 > SPUCVXIQVCUVAK-BUOLHCRLSA-N $$$$