Mrv1652302241718322D 66 67 0 0 1 0 999 V2000 20.2192 1.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3944 1.7470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3066 0.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0777 0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7146 -0.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2284 -1.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6339 -1.8452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9491 -2.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1948 -2.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3939 -2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5708 -2.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7505 -2.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9579 -2.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2170 -2.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5505 -1.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9786 -1.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5185 -0.4481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1844 0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9863 1.1070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1615 1.1230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7629 1.8453 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1891 2.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0140 2.5357 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4126 1.8134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2470 3.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6101 4.2839 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0963 4.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6908 5.5224 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3757 5.9824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1300 6.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9308 6.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7539 6.5706 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5742 6.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3669 6.2539 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.1077 5.8908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7742 5.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3166 6.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3462 4.8101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8062 4.1253 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.1403 3.3710 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3384 2.5701 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.1535 2.6976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9209 3.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5285 4.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6640 7.0235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7699 7.3954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9771 6.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1729 6.1645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9037 4.7101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5068 3.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9380 1.8613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7352 0.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1338 -0.3057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9104 0.4326 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.7962 -0.8467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7802 -1.6716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0579 -2.0702 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0420 -2.8950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7483 -3.3213 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4706 -2.9227 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4866 -2.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1770 -3.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7324 -4.1461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3196 -3.2936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3516 -1.6439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0855 0.4486 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 19 24 1 1 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 2 41 1 0 0 0 0 41 42 1 6 0 0 0 40 43 1 6 0 0 0 39 44 1 1 0 0 0 34 45 1 1 0 0 0 32 46 1 1 0 0 0 29 47 1 6 0 0 0 28 48 1 1 0 0 0 26 49 1 1 0 0 0 23 50 1 6 0 0 0 21 51 1 1 0 0 0 20 52 1 6 0 0 0 52 53 2 0 0 0 0 52 54 1 0 0 0 0 17 55 1 6 0 0 0 56 55 1 6 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 56 61 1 0 0 0 0 60 62 1 6 0 0 0 59 63 1 1 0 0 0 58 64 1 6 0 0 0 57 65 1 6 0 0 0 M CHG 2 54 -1 66 1 M END > DBSALT002275 > drugbank > [Na+].C[C@H]1O[C@@H](O[C@@H]2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C([O-])=O)C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)C=CC=CC=CC=CC=CC=CC=C2)[C@@H](O)[C@@H](N)[C@@H]1O > InChI=1S/C47H73NO17.Na/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56;/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60);/q;+1/p-1/b6-5-,9-7-,10-8-,13-11-,14-12-,17-15-,18-16-;/t27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+;/m0./s1 > MTSXPVSZJVNPBE-ALEYTFIZSA-M > C47H72NNaO17 > 946.073 > 945.46979414 > 17 > 138 > 100.0621472684737 > 0 > 11 > 0 > 0 > sodium (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-{[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate > 0.67 > -2.3001616917873178 > -4.11 > 0 > 3 > 0 > 11.826572360496307 > 3.579739281930252 > 9.113099822252716 > 322.43999999999994 > 255.50760000000014 > 3 > 0 > 7.41e-02 g/l > sodium (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-{[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate > 0 > DBSALT002275 > Corifungin > DB00681 > Amphotericin B > 41610-51-9 > L26BTK4791 $$$$