Mrv0541 03171517082D 59 62 0 0 0 0 999 V2000 9.4530 -8.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4530 -9.2399 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1673 -9.6556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8740 -9.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5850 -9.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3040 -9.2460 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1673 -8.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1717 -7.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3037 -8.4216 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0062 -8.0195 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0079 -7.1999 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2934 -6.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2999 -5.9746 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5943 -5.5685 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8847 -5.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8808 -6.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7342 -9.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8660 -8.4090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0142 -9.6639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5807 -8.0142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7204 -8.4346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4350 -8.8489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4350 -9.6768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1467 -10.0917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8649 -9.6796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8724 -8.8556 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1561 -8.4360 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5813 -10.0931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5978 -4.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3118 -4.3271 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0290 -4.7349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7402 -4.3226 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7389 -3.4969 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0293 -3.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3118 -3.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1602 -7.6110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5900 -8.4486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5964 -7.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3013 -8.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1439 -10.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5813 -10.9181 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8668 -11.3306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8668 -12.1556 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5813 -12.5681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2957 -12.1556 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2957 -11.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5813 -13.3931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1207 -12.1556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7082 -12.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1523 -12.5681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4553 -4.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4535 -3.0846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4537 -2.2596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1678 -3.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0157 -5.5645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7227 -6.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4368 -7.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1517 -6.7896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5807 -7.1892 0.0000 C 0 0 0 0 0 0 0 0 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 9 20 1 6 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 3 4 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 2 17 1 6 0 0 0 4 5 1 0 0 0 0 4 18 2 0 0 0 0 5 6 1 0 0 0 0 6 19 1 6 0 0 0 6 9 1 0 0 0 0 1 2 1 0 0 0 0 7 8 2 0 0 0 0 16 8 1 0 0 0 0 10 21 1 6 0 0 0 22 23 1 0 0 0 0 22 27 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 26 27 1 0 0 0 0 25 28 1 6 0 0 0 22 21 1 1 0 0 0 14 29 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 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 32 1 0 0 0 0 30 29 1 1 0 0 0 27 36 1 6 0 0 0 26 37 1 1 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 24 40 1 1 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 41 46 1 0 0 0 0 41 28 1 1 0 0 0 44 47 1 1 0 0 0 45 48 1 1 0 0 0 45 49 1 6 0 0 0 43 50 1 6 0 0 0 32 51 1 6 0 0 0 33 52 1 6 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 13 55 1 6 0 0 0 11 56 1 6 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 20 59 1 0 0 0 0 M END > CHEBI:85260 > spiramycin I > A macrolide antibiotic produced by various Streptomyces species that is used to treat toxoplasmosis and various other infections of soft tissues. > 3 > CHEBI:9236; CHEBI:45589 > Spiramycin A; Spiramycin 1; Spiramycin; Foromacidine A; foromacidin A; Demycarosylturimycin H > [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-{[(2S,3R,4R,5S,6R)-5-{[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-10-{[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde > C43H74N2O14 > 843.05270 > 842.51401 > 0 > CO[C@H]1[C@H](O)CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O[C@H]2CC[C@@H]([C@H](C)O2)N(C)C)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@@H]([C@H]1O)N(C)C > InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25-,26+,27-,28+,29+,30+,31-,32+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-/m1/s1 > ACTOXUHEUCPTEW-KWBWCIJSSA-N > 24916-50-5 > 21729639 > 24916-50-5 > LMPK04000005 > CPD-13983 > 11913495; 15925222; 17849607; 19692628; 22271863; 22649946; 24345568 $$$$