CDK 1028232201 43 45 0 0 0 0 0 0 0 0999 V2000 3.5724 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4304 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.8250 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 2.8579 1.2375 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 0.7145 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.8250 0.0000 C 0 0 0 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 0.7145 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.0000 0.0000 C 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 2.1435 2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 1 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 -0.7145 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 -1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 O 0 0 0 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 -1.4290 -1.2375 0.0000 C 0 0 2 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 1 0 0 0 0 0 0 0 0 0 -2.1435 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1435 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1435 0.8250 0.0000 O 0 0 0 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 -2.8579 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 2.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1435 2.4751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8579 2.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5724 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1435 3.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 2.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2870 1.2375 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 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 18 22 1 0 0 0 0 23 19 1 1 0 0 0 23 24 1 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 25 27 1 6 0 0 0 28 25 1 0 0 0 0 29 26 1 0 0 0 0 26 30 1 6 0 0 0 31 27 1 1 0 0 0 28 32 1 6 0 0 0 29 33 1 1 0 0 0 31 34 1 0 0 0 0 35 31 1 0 0 0 0 36 34 1 0 0 0 0 35 37 1 1 0 0 0 38 35 1 0 0 0 0 39 36 1 0 0 0 0 36 40 1 6 0 0 0 38 41 1 6 0 0 0 39 42 1 1 0 0 0 40 43 1 0 0 0 0 17 20 1 0 0 0 0 28 29 1 0 0 0 0 38 39 1 0 0 0 0 M END > CHEBI:198211 > 10-[(2S,3S,4S,5S,6R)-4-amino-5-hydroxy-6-methyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,7,11-triethyl-azacyclotetradecan-2-one > 2 > 10-[(2S,3S,4S,5S,6R)-4-amino-5-hydroxy-6-methyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,7,11-triethyl-azacyclotetradecan-2-one > C31H58N2O10 > 618.809 > 618.40915 > 0 > O=C1NCCCC(C(O[C@H]2O[C@@H]([C@@H](O)[C@@H]([C@@H]2O[C@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)N)C)CCC(CCCC1CC)CC)CC > InChI=1S/C31H58N2O10/c1-5-18-10-8-11-20(7-3)29(39)33-15-9-12-19(6-2)21(14-13-18)41-31-28(23(32)24(35)17(4)40-31)43-30-27(38)26(37)25(36)22(16-34)42-30/h17-28,30-31,34-38H,5-16,32H2,1-4H3,(H,33,39)/t17-,18?,19?,20?,21?,22-,23+,24-,25-,26+,27-,28+,30-,31-/m1/s1 > VSINHLXABDCMGP-TZAZQOALSA-N $$$$