84020 CDK 0225221205 53 55 0 0 0 0 0 0 0 0999 V2000 5.6655 -0.8772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0944 1.5979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6023 1.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 -0.8772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 0.3604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 2.8354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0629 1.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6655 -2.5272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9524 -0.0521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3085 3.6323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 2.8354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 1.5979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3799 2.8354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9310 2.0731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 -3.3522 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6655 -0.0521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3799 0.3604 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9509 0.3604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3799 1.1854 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2365 -0.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6655 1.5979 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5220 0.3604 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9509 -1.2897 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0944 -0.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1645 1.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 1.1854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2379 1.1854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9509 -2.1147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2365 -2.5272 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5234 1.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 1.5979 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2379 0.3604 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5220 2.8354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8075 2.4229 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5220 1.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -2.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5234 -0.0521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5220 -1.2897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2365 2.4229 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6655 2.4229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 0.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -0.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6504 1.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7063 1.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 1.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1054 3.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0755 1.7839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5234 -0.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -0.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -3.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 -3.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9883 1.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4754 1.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16 1 1 1 0 0 0 23 1 1 1 0 0 0 19 2 1 1 0 0 0 26 2 1 1 0 0 0 18 3 1 1 0 0 0 3 47 1 0 0 0 0 4 23 1 0 0 0 0 4 38 1 0 0 0 0 5 26 1 0 0 0 0 5 37 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 27 7 1 1 0 0 0 7 53 1 0 0 0 0 28 8 1 6 0 0 0 32 9 1 1 0 0 0 33 10 1 6 0 0 0 34 11 1 1 0 0 0 12 35 2 0 0 0 0 13 40 2 0 0 0 0 14 44 1 0 0 0 0 29 15 1 1 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 24 1 6 0 0 0 18 20 1 0 0 0 0 18 25 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 1 0 0 0 22 35 1 0 0 0 0 22 42 1 1 0 0 0 23 28 1 0 0 0 0 26 30 1 0 0 0 0 27 30 1 0 0 0 0 27 32 1 0 0 0 0 27 43 1 0 0 0 0 28 29 1 0 0 0 0 29 36 1 0 0 0 0 31 34 1 0 0 0 0 31 35 1 0 0 0 0 31 45 1 6 0 0 0 32 37 1 0 0 0 0 33 34 1 0 0 0 0 33 39 1 0 0 0 0 33 46 1 0 0 0 0 36 38 1 0 0 0 0 37 48 1 6 0 0 0 38 49 1 1 0 0 0 39 44 1 6 0 0 0 44 52 1 0 0 0 0 M END > CHEBI:189888 > 14-hydroxyclarithromycin > 2 > (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-12,13-dihydroxy-14-(1-hydroxyethyl)-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione > C38H69NO14 > 763.963 > 763.47181 > 0 > O([C@@H]1[C@H]([C@H](O[C@@H]2O[C@H]([C@H](O)[C@](OC)(C2)C)C)[C@H](C(O[C@@H]([C@@](O)([C@H](O)[C@H](C(=O)[C@@H](C[C@]1(OC)C)C)C)C)C(O)C)=O)C)C)[C@@H]3O[C@@H](C[C@H](N(C)C)[C@H]3O)C > InChI=1S/C38H69NO14/c1-18-16-37(9,48-14)32(53-35-28(42)25(39(11)12)15-19(2)49-35)21(4)29(51-26-17-36(8,47-13)31(44)24(7)50-26)22(5)34(45)52-33(23(6)40)38(10,46)30(43)20(3)27(18)41/h18-26,28-33,35,40,42-44,46H,15-17H2,1-14H3/t18-,19-,20+,21+,22-,23?,24+,25+,26+,28-,29+,30-,31+,32-,33-,35+,36-,37-,38+/m1/s1 > BLPFDXNVUDZBII-KNPZYKNQSA-N > 110671-78-8 > 110671-78-8 $$$$