70679309 -OEChem-03192403082D 54 55 0 1 0 0 0 0 0999 V2000 2.0000 0.4670 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4670 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8084 3.8676 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.0397 0.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 1.2223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2726 2.4535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4521 -1.5070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8428 -1.3773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4763 3.1233 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1871 1.9666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2215 -3.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2231 2.1429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6850 0.4965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -1.3377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7345 0.8072 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9902 0.1393 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5283 1.7857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5778 2.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8335 1.4285 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1964 -0.8392 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8643 -1.5835 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1656 2.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5536 -2.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4293 1.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 0.2718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -0.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3798 0.8537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8624 0.2005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7982 -0.1247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1176 1.5931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8698 2.6433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0899 2.4789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6071 -0.6466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0569 -0.9942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8129 -0.1102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1447 3.0602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0067 -2.2420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1710 -3.0219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5800 -2.1137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2568 -1.8387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7479 -0.5330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1872 0.2644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9692 0.6611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5725 1.4430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 -1.9270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0288 -3.8676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.3430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 30 1 0 0 0 0 4 16 1 0 0 0 0 4 19 1 0 0 0 0 19 5 1 6 0 0 0 5 25 1 0 0 0 0 17 6 1 6 0 0 0 6 42 1 0 0 0 0 20 7 1 6 0 0 0 7 45 1 0 0 0 0 21 8 1 1 0 0 0 8 46 1 0 0 0 0 9 22 1 0 0 0 0 10 22 2 0 0 0 0 11 23 1 0 0 0 0 11 52 1 0 0 0 0 12 24 2 0 0 0 0 13 15 1 0 0 0 0 13 24 1 0 0 0 0 13 41 1 0 0 0 0 14 27 1 0 0 0 0 14 29 1 0 0 0 0 14 51 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 34 1 0 0 0 0 16 20 1 0 0 0 0 16 35 1 1 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 23 1 0 0 0 0 21 40 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 26 29 2 0 0 0 0 26 30 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 31 1 0 0 0 0 30 32 2 0 0 0 0 31 33 2 0 0 0 0 31 53 1 0 0 0 0 32 33 1 0 0 0 0 33 54 1 0 0 0 0 M CHG 2 3 1 9 -1 M END > 70679309 > 1 > 712 > 9 > 6 > 7 > AAADceB7PCAEEAAAAAAAAAAAAAAAAWAAAAA0QAAAAAAAAFgB8AAAHgJQCAABrD7hniY+zvLJlgCoAzX3XAaCiCAxZiQI2aF/brgfNvLFsp+neCjn1hnf6hf6+a+eAAAgEAIDAAIAAEAgBAYABAAAAAAAAA== > sodium;(2S,4S,6R)-5-acetamido-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-4-hydroxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylate > sodium;(2S,4S,6R)-5-acetamido-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-4-hydroxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]-2-oxanecarboxylate > sodium;(2S,4S,6R)-5-acetamido-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-4-hydroxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylate > sodium;(2S,4S,6R)-5-acetamido-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-4-hydroxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylate > sodium;(2S,4S,6R)-5-acetamido-2-[(5-bromanyl-4-chloranyl-1H-indol-3-yl)oxy]-4-oxidanyl-6-[(1S,2S)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylate > sodium;(2S,4S,6R)-5-acetamido-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-4-hydroxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylate > InChI=1S/C19H22BrClN2O9.Na/c1-7(25)23-15-10(26)4-19(18(29)30,32-17(15)16(28)11(27)6-24)31-12-5-22-9-3-2-8(20)14(21)13(9)12;/h2-3,5,10-11,15-17,22,24,26-28H,4,6H2,1H3,(H,23,25)(H,29,30);/q;+1/p-1/t10-,11-,15?,16-,17+,19+;/m0./s1 > MNWWXEDVLXNFDD-YMKIFIKMSA-M > 558.00166 > C19H21BrClN2NaO9 > 559.7 > CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)[O-])OC2=CNC3=C2C(=C(C=C3)Br)Cl)O.[Na+] > CC(=O)NC1[C@H](C[C@@](O[C@H]1[C@H]([C@H](CO)O)O)(C(=O)[O-])OC2=CNC3=C2C(=C(C=C3)Br)Cl)O.[Na+] > 184 > 558.00166 > 0 > 33 > 5 > 1 > 0 > 0 > 0 > 2 > -1 > 3 9 7 > 1 5 255 > 15 13 3 14 27 8 14 29 8 16 35 5 25 26 8 25 27 8 26 29 8 26 30 8 29 31 8 30 32 8 31 33 8 32 33 8 19 5 6 17 6 6 20 7 6 21 8 5 $$$$