CDK 1030232200 26 29 0 0 0 0 0 0 0 0999 V2000 5.8455 -0.2362 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.6206 -1.0299 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2590 -1.7714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4376 -1.1448 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7601 -0.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8524 -2.3446 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0107 -0.5513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5809 -1.9572 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3476 -1.3678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1810 -2.9670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3224 -2.3189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 -1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5406 -2.4625 0.0000 C 0 0 1 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 3.7156 -2.4625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7956 -3.2471 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4607 -3.2471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5801 -3.5020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1281 -3.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 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 1.4290 -0.4125 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 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 4 2 1 0 0 0 0 2 5 1 0 0 0 0 6 3 1 6 0 0 0 4 7 1 1 0 0 0 8 4 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 8 11 1 1 0 0 0 12 9 1 0 0 0 0 13 10 1 6 0 0 0 12 14 1 1 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 19 1 6 0 0 0 16 20 1 1 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 18 23 2 0 0 0 0 22 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 6 8 1 0 0 0 0 13 15 1 0 0 0 0 19 21 1 0 0 0 0 23 24 1 0 0 0 0 M END > CHEBI:209299 > Dragocin B > 2 > (1R,3S,4S,7R,8R,11S,12S,13R)-11-chloro-8-(4-methoxyphenyl)-2,9,14-trioxa-6-azatricyclo[9.2.1.03,7]tetradecane-4,12,13-triol > C17H22ClNO7 > 387.810 > 387.10848 > 0 > Cl[C@@]12O[C@@H](O[C@@H]3[C@@H](O)CN[C@@H]3[C@H](OC1)C4=CC=C(OC)C=C4)[C@@H]([C@@H]2O)O > InChI=1S/C17H22ClNO7/c1-23-9-4-2-8(3-5-9)13-11-14(10(20)6-19-11)25-16-12(21)15(22)17(18,26-16)7-24-13/h2-5,10-16,19-22H,6-7H2,1H3/t10-,11+,12+,13+,14+,15-,16+,17+/m0/s1 > SIXWLVWKNCZWEF-UYCJJKJYSA-N $$$$