441382 -OEChem-04242410282D 94 97 0 1 0 0 0 0 0999 V2000 8.2331 -0.2290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5994 4.4054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2331 -0.2290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7331 -2.8270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2331 -3.6931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7331 -2.8270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 5.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2331 -0.2290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -1.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2331 -1.9610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7331 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2331 -1.9610 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2331 0.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.9050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 3.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -1.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 -2.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.5950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 -3.5950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -4.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -3.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 4.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 5.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 5.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3081 -1.8311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6131 -1.9610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2080 -1.4935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2080 -0.6965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9231 -2.4980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7426 1.1503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8499 0.7086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9681 1.5425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9885 2.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3871 1.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 -0.1201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 -0.1201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.5949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5431 0.3080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3531 -2.8270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 5.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -1.5581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -2.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9231 -4.2300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -5.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 6.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 0.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 5.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 3.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 4.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 5.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 4.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 22 2 1 6 0 0 0 25 2 1 6 0 0 0 15 3 1 1 0 0 0 3 63 1 0 0 0 0 19 4 1 6 0 0 0 4 67 1 0 0 0 0 26 5 1 1 0 0 0 5 28 1 0 0 0 0 21 6 1 6 0 0 0 6 71 1 0 0 0 0 7 28 1 0 0 0 0 7 33 1 0 0 0 0 8 27 1 0 0 0 0 8 76 1 0 0 0 0 9 27 2 0 0 0 0 29 10 1 1 0 0 0 10 80 1 0 0 0 0 31 11 1 6 0 0 0 11 82 1 0 0 0 0 12 38 1 0 0 0 0 12 41 1 0 0 0 0 13 38 2 0 0 0 0 30 14 1 1 0 0 0 14 77 1 0 0 0 0 14 78 1 0 0 0 0 15 18 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 24 1 0 0 0 0 16 48 1 1 0 0 0 17 19 1 0 0 0 0 17 27 1 1 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 20 21 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 23 1 0 0 0 0 21 55 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 22 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 26 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 32 1 0 0 0 0 25 61 1 0 0 0 0 26 34 1 0 0 0 0 26 62 1 0 0 0 0 28 29 1 0 0 0 0 28 64 1 0 0 0 0 29 30 1 0 0 0 0 29 65 1 0 0 0 0 30 31 1 0 0 0 0 30 66 1 0 0 0 0 31 33 1 0 0 0 0 31 68 1 0 0 0 0 32 36 2 3 0 0 0 32 69 1 0 0 0 0 33 35 1 1 0 0 0 33 70 1 0 0 0 0 34 37 2 3 0 0 0 34 72 1 0 0 0 0 35 73 1 0 0 0 0 35 74 1 0 0 0 0 35 75 1 0 0 0 0 36 38 1 0 0 0 0 36 79 1 0 0 0 0 37 39 1 0 0 0 0 37 81 1 0 0 0 0 39 40 2 3 0 0 0 39 83 1 0 0 0 0 40 43 1 0 0 0 0 40 84 1 0 0 0 0 41 42 1 0 0 0 0 41 44 1 1 0 0 0 41 85 1 0 0 0 0 42 45 1 0 0 0 0 42 86 1 0 0 0 0 42 87 1 0 0 0 0 43 46 2 3 0 0 0 43 91 1 0 0 0 0 44 88 1 0 0 0 0 44 89 1 0 0 0 0 44 90 1 0 0 0 0 45 47 2 3 0 0 0 45 92 1 0 0 0 0 46 47 1 0 0 0 0 46 93 1 0 0 0 0 47 94 1 0 0 0 0 M END > 441382 > 1 > 1220 > 14 > 7 > 3 > AAADcfB+PAAAAAAAAAAAAAAAEgAAAAAAAAAkSAAAAAAAAAAAAAAAHgAQCAAADTzxgAcCCABABgCIACDSCAAAAAAgAAAICIEAAEgbFBYAoQAiUAAH8AAPoYPI7OzOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (1R,3S,5R,7R,12R,22R,24S,25R,26S)-22-[(3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid > (1R,3S,5R,7R,12R,22R,24S,25R,26S)-22-[[(3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid > (1R,3S,5R,7R,12R,22R,24S,25R,26S)-22-[(3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid > (1R,3S,5R,7R,12R,22R,24S,25R,26S)-22-[(3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid > (1R,3S,5R,7R,12R,22R,24S,25R,26S)-22-[(3S,4S,5S,6R)-4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-12-methyl-1,3,26-tris(oxidanyl)-10-oxidanylidene-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid > (1R,3S,5R,7R,12R,22R,24S,25R,26S)-22-[(3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-1,3,26-trihydroxy-10-keto-12-methyl-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid > InChI=1S/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-21(45-32-30(39)28(34)29(38)19(2)44-32)15-25-27(31(40)41)22(36)17-33(42,47-25)16-20(35)14-24-23(46-24)12-13-26(37)43-18/h3-9,11-13,18-25,27-30,32,35-36,38-39,42H,10,14-17,34H2,1-2H3,(H,40,41)/t18-,19-,20+,21+,22+,23-,24-,25+,27-,28+,29-,30+,32?,33-/m1/s1 > NCXMLFZGDNKEPB-HRGPPOFJSA-N > -1.3 > 665.30474055 > C33H47NO13 > 665.7 > CC1CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC3C(O3)C=CC(=O)O1)O)O)O)C(=O)O)OC4C(C(C(C(O4)C)O)N)O > C[C@@H]1CC=CC=CC=CC=C[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@@H]3[C@H](O3)C=CC(=O)O1)O)O)O)C(=O)O)OC4[C@H]([C@H]([C@@H]([C@H](O4)C)O)N)O > 231 > 665.30474055 > 0 > 47 > 13 > 1 > 0 > 5 > 0 > 1 > -1 > 1 5 255 > 29 10 5 31 11 6 30 14 5 16 48 5 17 27 5 22 2 6 25 2 6 15 3 5 32 36 1 33 35 5 34 37 1 39 40 1 19 4 6 41 44 5 43 46 1 45 47 1 26 5 5 28 5 3 21 6 6 $$$$