5280965 -OEChem-05181323432D 138140 0 1 0 0 0 0 0999 V2000 16.3933 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -4.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 2.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2594 1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1254 1.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1254 2.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2594 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 2.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3933 -0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9914 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -1.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9292 2.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2594 -2.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1254 -3.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9914 -2.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9914 -1.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0632 3.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5273 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7953 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 2.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9292 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5232 0.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6579 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8608 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9258 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1288 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4714 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8699 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9303 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9303 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6623 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5284 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6001 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3944 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1674 -1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3944 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5474 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6623 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3944 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 19 2 1 1 0 0 0 2 79 1 0 0 0 0 22 3 1 6 0 0 0 3 81 1 0 0 0 0 27 4 1 1 0 0 0 30 4 1 6 0 0 0 5 30 1 0 0 0 0 5 35 1 0 0 0 0 26 6 1 1 0 0 0 6 89 1 0 0 0 0 7 28 1 0 0 0 0 7 92 1 0 0 0 0 8 28 2 0 0 0 0 31 9 1 1 0 0 0 9100 1 0 0 0 0 32 10 1 6 0 0 0 10101 1 0 0 0 0 34 11 1 1 0 0 0 11104 1 0 0 0 0 36 12 1 1 0 0 0 12105 1 0 0 0 0 42 13 1 1 0 0 0 13113 1 0 0 0 0 44 14 1 1 0 0 0 14121 1 0 0 0 0 15 49 1 0 0 0 0 15 52 1 0 0 0 0 48 16 1 1 0 0 0 16129 1 0 0 0 0 17 52 2 0 0 0 0 33 18 1 6 0 0 0 18 98 1 0 0 0 0 18 99 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 20 66 1 1 0 0 0 21 22 1 0 0 0 0 21 28 1 1 0 0 0 21 67 1 0 0 0 0 22 23 1 0 0 0 0 22 68 1 0 0 0 0 23 69 1 0 0 0 0 23 70 1 0 0 0 0 24 26 1 0 0 0 0 24 71 1 0 0 0 0 24 72 1 0 0 0 0 25 27 1 0 0 0 0 25 73 1 0 0 0 0 25 74 1 0 0 0 0 26 29 1 0 0 0 0 26 75 1 0 0 0 0 27 37 1 0 0 0 0 27 76 1 0 0 0 0 29 31 1 0 0 0 0 29 77 1 0 0 0 0 29 78 1 0 0 0 0 30 32 1 0 0 0 0 30 80 1 0 0 0 0 31 36 1 0 0 0 0 31 82 1 0 0 0 0 32 33 1 0 0 0 0 32 83 1 0 0 0 0 33 34 1 0 0 0 0 33 84 1 0 0 0 0 34 35 1 0 0 0 0 34 85 1 0 0 0 0 35 39 1 6 0 0 0 35 86 1 0 0 0 0 36 38 1 0 0 0 0 36 87 1 0 0 0 0 37 41 2 0 0 0 0 37 88 1 0 0 0 0 38 40 1 0 0 0 0 38 90 1 0 0 0 0 38 91 1 0 0 0 0 39 93 1 0 0 0 0 39 94 1 0 0 0 0 39 95 1 0 0 0 0 40 42 1 0 0 0 0 40 96 1 0 0 0 0 40 97 1 0 0 0 0 41 45 1 0 0 0 0 41102 1 0 0 0 0 42 43 1 0 0 0 0 42103 1 0 0 0 0 43 44 1 0 0 0 0 43106 1 0 0 0 0 43107 1 0 0 0 0 44 46 1 0 0 0 0 44108 1 0 0 0 0 45 51 2 0 0 0 0 45109 1 0 0 0 0 46 52 1 0 0 0 0 46111 1 0 0 0 0 46112 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 47 53 1 6 0 0 0 47110 1 0 0 0 0 48 50 1 0 0 0 0 48114 1 0 0 0 0 49 54 1 6 0 0 0 49115 1 0 0 0 0 50 55 1 6 0 0 0 50 56 1 0 0 0 0 50116 1 0 0 0 0 51 57 1 0 0 0 0 51117 1 0 0 0 0 53118 1 0 0 0 0 53119 1 0 0 0 0 53120 1 0 0 0 0 54122 1 0 0 0 0 54123 1 0 0 0 0 54124 1 0 0 0 0 55125 1 0 0 0 0 55126 1 0 0 0 0 55127 1 0 0 0 0 56 58 2 0 0 0 0 56128 1 0 0 0 0 57 59 2 0 0 0 0 57130 1 0 0 0 0 58 60 1 0 0 0 0 58131 1 0 0 0 0 59 61 1 0 0 0 0 59132 1 0 0 0 0 60 62 2 0 0 0 0 60133 1 0 0 0 0 61 63 2 0 0 0 0 61134 1 0 0 0 0 62 64 1 0 0 0 0 62135 1 0 0 0 0 63 65 1 0 0 0 0 63136 1 0 0 0 0 64 65 2 0 0 0 0 64137 1 0 0 0 0 65138 1 0 0 0 0 M END > 5280965 > 1 > 1670 > 18 > 12 > 3 > AAADcfB+PgAAAAAAAAAAAAAAAAAAAAAAAAAkSAAAAAAAAAAAAAAAHgAQCAAADTzxgAcCCABABgCIACDSCAAAAAAgAAAICIEAAAgbFBYAoQAiUAAH8AAPoAPI7OzOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylic acid > (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylic acid > (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylic acid > (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-18,20,21-trimethyl-19,25,27,30,31,33,35,37-octakis(oxidanyl)-23-oxidanylidene-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylic acid > (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,27R,30R,31R,33S,35R,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-19,25,27,30,31,33,35,37-octahydroxy-23-keto-18,20,21-trimethyl-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,12,14,16-heptaene-38-carboxylic acid > InChI=1S/C47H73NO17/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)/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 > APKFDSVGJQXUKY-INPOYWNPSA-N > 0 > 923.48785 > C47H73NO17 > 924.07902 > CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O > C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O > 320 > 923.48785 > 0 > 65 > 19 > 0 > 7 > 0 > 0 > 1 > 2 > 1 5 255 > 32 10 6 34 11 5 36 12 5 42 13 5 44 14 5 48 16 5 33 18 6 19 2 5 20 66 5 21 28 5 22 3 6 35 39 6 27 4 5 30 4 6 47 53 6 49 54 6 50 55 6 26 6 5 31 9 5 $$$$