Marvin 03221215382D 50 52 0 0 1 0 999 V2000 18.7676 -4.7050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0532 -5.1175 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0532 -3.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0532 -5.9425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0532 -2.6425 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3386 -6.3550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3386 -2.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6242 -5.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6242 -2.6425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6242 -5.1175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6242 -3.4675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9098 -4.7050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4820 -5.1175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3386 -4.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1964 -4.7050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7676 -6.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9110 -5.1175 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1964 -3.8800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7676 -2.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7676 -7.1800 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3386 -7.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6255 -4.7050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.9110 -5.9425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9110 -3.4675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3386 -1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0530 -7.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4820 -7.5925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9097 -6.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6255 -3.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3399 -5.1175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.9110 -2.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9097 -2.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4820 -8.4175 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.0543 -4.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3399 -5.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3386 -3.8800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7676 -8.8300 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.1964 -8.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7676 -9.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0530 -8.4175 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1951 -5.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4807 -4.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0530 -9.2425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3386 -8.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9098 -3.8800 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7676 -3.8800 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9098 -3.0550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7676 -3.0550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1953 -3.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4820 -3.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 6 0 0 0 1 46 1 0 0 0 0 46 50 1 6 0 0 0 2 1 1 0 0 0 0 2 14 1 6 0 0 0 46 3 1 0 0 0 0 2 4 1 0 0 0 0 4 16 1 6 0 0 0 3 5 1 0 0 0 0 5 19 1 6 0 0 0 4 6 1 0 0 0 0 6 21 1 1 0 0 0 5 7 1 0 0 0 0 7 25 2 0 0 0 0 6 8 1 0 0 0 0 8 28 2 0 0 0 0 9 7 1 0 0 0 0 9 32 1 1 0 0 0 8 10 1 0 0 0 0 11 9 1 0 0 0 0 11 36 1 1 0 0 0 12 10 1 0 0 0 0 12 41 1 6 0 0 0 45 12 1 0 0 0 0 11 45 1 0 0 0 0 45 49 1 6 0 0 0 15 13 1 6 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 20 16 1 6 0 0 0 17 22 1 0 0 0 0 17 23 1 1 0 0 0 18 24 1 0 0 0 0 20 26 1 0 0 0 0 20 27 1 0 0 0 0 22 29 1 0 0 0 0 22 30 1 6 0 0 0 24 31 1 6 0 0 0 24 29 1 0 0 0 0 26 40 1 0 0 0 0 27 33 1 0 0 0 0 30 34 1 0 0 0 0 30 35 1 0 0 0 0 33 38 1 1 0 0 0 33 37 1 0 0 0 0 40 37 1 0 0 0 0 37 39 1 6 0 0 0 40 43 1 6 0 0 0 40 44 1 1 0 0 0 41 42 1 0 0 0 0 45 47 1 1 0 0 0 46 48 1 1 0 0 0 M END > CHEBI:64273 > erythromycin C > An erythromycin that consists of erythronolide A having 2,6-dideoxy-3-C-methyl-α-L-ribo-hexopyranosyl and 3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl residues attahced at positions 4 and 6 respectively. > 3 > 3''-O-Demethylerythromycin > (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione > C36H65NO13 > 719.90020 > 719.44559 > 0 > CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O > InChI=1S/C36H65NO13/c1-13-24-36(10,45)29(40)19(4)26(38)17(2)15-35(9,44)31(50-33-27(39)23(37(11)12)14-18(3)46-33)20(5)28(21(6)32(42)48-24)49-25-16-34(8,43)30(41)22(7)47-25/h17-25,27-31,33,39-41,43-45H,13-16H2,1-12H3/t17-,18-,19+,20+,21-,22+,23+,24-,25+,27-,28+,29-,30+,31-,33+,34-,35-,36-/m1/s1 > MWFRKHPRXPSWNT-QNPWSHAKSA-N > 1675-02-1 > 75000 > 1675-02-1 > C06616 > LMPK04000009 > CPD-13951 > 15530995; 15870344; 4587460; 4995842 $$$$