CDK 1030232202 49 52 0 0 0 0 0 0 0 0999 V2000 2.7165 1.2660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 0.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5973 0.3114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0004 0.1825 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2568 -0.1842 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5649 0.8648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6653 -1.0845 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9003 0.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1994 -1.2049 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0139 -1.5907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3481 -1.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2961 -0.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7749 1.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3645 -2.0132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3750 -1.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2940 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1241 -1.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1185 -2.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4263 1.2449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6191 -2.3669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8862 -2.6523 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4675 -2.9093 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6247 -2.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4290 2.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5527 -3.1893 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1272 -2.9757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6452 -2.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7868 -3.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7354 -3.6895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7144 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8414 2.7769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2316 -3.6579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1926 -3.5429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7144 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1653 -4.4802 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8716 -3.0743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 -4.3652 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4199 -4.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8442 -4.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0043 -4.7189 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -5.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -4.2502 0.0000 C 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 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 4 7 1 1 0 0 0 8 5 1 0 0 0 0 5 9 1 1 0 0 0 6 10 1 1 0 0 0 11 6 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 6 0 0 0 9 15 1 0 0 0 0 16 10 1 6 0 0 0 17 11 1 0 0 0 0 11 18 1 6 0 0 0 12 19 1 0 0 0 0 13 20 2 0 0 0 0 13 21 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0 17 24 1 6 0 0 0 25 17 1 0 0 0 0 26 19 1 0 0 0 0 21 27 1 0 0 0 0 28 22 1 0 0 0 0 29 23 1 0 0 0 0 30 24 1 6 0 0 0 25 31 1 6 0 0 0 25 32 1 0 0 0 0 25 33 1 0 0 0 0 26 34 1 6 0 0 0 35 28 1 0 0 0 0 28 36 1 1 0 0 0 29 37 1 6 0 0 0 29 38 1 0 0 0 0 30 39 1 0 0 0 0 40 30 1 0 0 0 0 35 41 1 6 0 0 0 42 39 1 0 0 0 0 40 43 1 1 0 0 0 44 40 1 0 0 0 0 42 45 1 0 0 0 0 42 46 1 6 0 0 0 44 47 1 6 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 19 21 2 0 0 0 0 26 32 1 0 0 0 0 29 35 1 0 0 0 0 44 45 1 0 0 0 0 M END > CHEBI:221234 > Sporeamicin B > 2 > (1S,2S,5R,6R,7R,8R,9S,11R)-6-[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-1,5,7,9,11,13-hexamethyl-3,15-dioxabicyclo[10.2.1]pentadec-12-ene-4,14-dione > C36H61NO12 > 699.879 > 699.41938 > 0 > O=C1O[C@H]([C@@]2(OC([C@H](C)C[C@@]([C@@H]([C@@H]([C@H]([C@H]1C)O[C@@H]3O[C@H]([C@H](O)[C@@](C3)(O)C)C)C)O[C@@H]4O[C@@H](C[C@@H]([C@H]4O)N(C)C)C)(O)C)=C(C2=O)C)C)CC > InChI=1S/C36H61NO12/c1-13-24-36(10)29(39)19(4)27(49-36)17(2)15-35(9,43)31(48-33-26(38)23(37(11)12)14-18(3)44-33)20(5)28(21(6)32(41)46-24)47-25-16-34(8,42)30(40)22(7)45-25/h17-18,20-26,28,30-31,33,38,40,42-43H,13-16H2,1-12H3/t17-,18-,20-,21-,22+,23+,24+,25+,26-,28-,30+,31-,33+,34-,35+,36+/m1/s1 > COGYQPKBENVFFL-VINGPLFOSA-N $$$$