71494702 -OEChem-05112402032D 134139 0 1 0 0 0 0 0999 V2000 9.9977 7.5170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1720 10.5002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8747 16.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3882 15.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 7.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5957 9.0170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7297 10.5170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9977 9.5170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7681 11.0102 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8920 9.4653 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9040 10.5069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7643 12.0102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7920 8.9410 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6801 10.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8046 7.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6921 9.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8963 12.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8762 13.5483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7722 14.0795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6723 12.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9421 8.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6763 13.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 7.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0361 11.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7522 11.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9295 7.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0279 9.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7497 11.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0322 12.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9223 14.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7764 15.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9014 15.1501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8046 7.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3113 6.9940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8347 15.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6324 14.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9015 15.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3881 16.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0010 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1350 4.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2690 5.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2690 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8671 3.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4030 6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7331 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0010 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8671 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1350 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8637 9.0170 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8637 8.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7297 9.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6385 10.0791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5314 8.5217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2921 10.4079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8824 11.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9079 8.8841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3017 9.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1502 13.1064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8791 11.9361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2836 12.6243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7398 9.5271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3300 8.8420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2868 13.4537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8876 14.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4046 7.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8623 10.5775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3624 11.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6422 11.7978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3199 7.9693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7137 7.2749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3400 10.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4922 10.2807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7158 9.4329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6444 11.2294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3607 11.7351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8550 12.4514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4941 12.3115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3095 14.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7246 13.4776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3869 15.0561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9877 15.7474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8094 7.2438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4246 7.8686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7998 8.4838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7767 6.6798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6254 6.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8458 7.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2302 16.1809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4319 16.1747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9486 14.0562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1658 14.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3162 15.1228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8920 15.7546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2816 15.1251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9111 14.5147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5565 17.4140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1360 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8637 9.6370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0757 7.4344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4743 8.1247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4607 9.2070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9977 10.1370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9977 6.8970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1327 9.3270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 64 1 0 0 0 0 1133 1 0 0 0 0 35 2 1 1 0 0 0 51 2 1 6 0 0 0 3 36 2 0 0 0 0 4 51 1 0 0 0 0 4 54 1 0 0 0 0 5 50 1 0 0 0 0 5112 1 0 0 0 0 6 50 2 0 0 0 0 52 7 1 6 0 0 0 56 7 1 1 0 0 0 53 8 1 1 0 0 0 8117 1 0 0 0 0 55 9 1 6 0 0 0 9118 1 0 0 0 0 10 56 1 0 0 0 0 10 60 1 0 0 0 0 11 57 1 0 0 0 0 11122 1 0 0 0 0 12 57 2 0 0 0 0 58 13 1 6 0 0 0 13124 1 0 0 0 0 59 14 1 1 0 0 0 14125 1 0 0 0 0 61 15 1 6 0 0 0 15126 1 0 0 0 0 16 62 1 0 0 0 0 16127 1 0 0 0 0 17 62 2 0 0 0 0 18 65 1 0 0 0 0 18134 1 0 0 0 0 19 65 2 0 0 0 0 20 63 1 0 0 0 0 20131 1 0 0 0 0 20132 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 21 26 1 0 0 0 0 21 37 1 1 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 22 33 1 0 0 0 0 22 39 1 1 0 0 0 23 36 1 0 0 0 0 23 66 1 6 0 0 0 24 29 1 0 0 0 0 24 32 1 0 0 0 0 24 40 1 6 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 25 67 1 6 0 0 0 26 28 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 27 35 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 70 1 0 0 0 0 28 71 1 0 0 0 0 29 30 1 0 0 0 0 29 41 2 0 0 0 0 30 31 1 0 0 0 0 30 42 1 0 0 0 0 30 72 1 1 0 0 0 31 34 1 0 0 0 0 31 43 1 0 0 0 0 31 48 1 1 0 0 0 32 34 1 0 0 0 0 32 73 1 0 0 0 0 32 74 1 0 0 0 0 33 38 1 0 0 0 0 33 75 1 0 0 0 0 33 76 1 0 0 0 0 34 77 1 0 0 0 0 34 78 1 0 0 0 0 35 38 1 0 0 0 0 35 79 1 0 0 0 0 36 41 1 0 0 0 0 37 80 1 0 0 0 0 37 81 1 0 0 0 0 37 82 1 0 0 0 0 38 83 1 0 0 0 0 38 84 1 0 0 0 0 39 85 1 0 0 0 0 39 86 1 0 0 0 0 39 87 1 0 0 0 0 40 88 1 0 0 0 0 40 89 1 0 0 0 0 40 90 1 0 0 0 0 41 91 1 0 0 0 0 42 44 1 0 0 0 0 42 92 1 0 0 0 0 42 93 1 0 0 0 0 43 47 1 0 0 0 0 43 94 1 0 0 0 0 43 95 1 0 0 0 0 44 47 1 0 0 0 0 44 49 1 6 0 0 0 44 50 1 0 0 0 0 45 96 1 0 0 0 0 45 97 1 0 0 0 0 45 98 1 0 0 0 0 46 99 1 0 0 0 0 46100 1 0 0 0 0 46101 1 0 0 0 0 47102 1 0 0 0 0 47103 1 0 0 0 0 48104 1 0 0 0 0 48105 1 0 0 0 0 48106 1 0 0 0 0 49107 1 0 0 0 0 49108 1 0 0 0 0 49109 1 0 0 0 0 51 52 1 0 0 0 0 51110 1 0 0 0 0 52 53 1 0 0 0 0 52111 1 0 0 0 0 53 55 1 0 0 0 0 53113 1 0 0 0 0 54 55 1 0 0 0 0 54 57 1 1 0 0 0 54114 1 0 0 0 0 55115 1 0 0 0 0 56 58 1 0 0 0 0 56116 1 0 0 0 0 58 59 1 0 0 0 0 58119 1 0 0 0 0 59 61 1 0 0 0 0 59120 1 0 0 0 0 60 61 1 0 0 0 0 60 62 1 1 0 0 0 60121 1 0 0 0 0 61123 1 0 0 0 0 63 64 1 0 0 0 0 63 65 1 0 0 0 0 63128 1 0 0 0 0 64129 1 0 0 0 0 64130 1 0 0 0 0 M END > 71494702 > 1 > 1810 > 20 > 11 > 9 > AAADcfB+PgBAAAAAAAAAAAAAAAAAAAAAAAA0aMGCAAAAAADAAAAAHgQQCAAADzz1wAeCCABABgSIAqDSCAIAAAAgAAAACIHAAEgTEBYAAQQiQAAFsAAPAQPK7PzPgAAAAAAAAADAAAYAADAAAAAAAAAAAA== > (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid;2-amino-3-sulfanyl-propanoic acid > (2S,3S,4S,5R,6R)-6-[[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxy-3-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid;2-amino-3-mercaptopropanoic acid > (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;2-amino-3-sulfanylpropanoic acid > (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;2-amino-3-sulfanylpropanoic acid > (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxidanylidene-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid;2-azanyl-3-sulfanyl-propanoic acid > (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-14-keto-4,4,6a,6b,8a,11,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid;2-amino-3-mercapto-propionic acid > InChI=1S/C42H62O16.C3H7NO2S/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;4-2(1-7)3(5)6/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);2,7H,1,4H2,(H,5,6)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;/m0./s1 > YGNAJNDCKSMYDU-OOFFSTKBSA-N > 943.42353553 > C45H69NO18S > 944.1 > CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C.C(C(C(=O)O)N)S > C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O.C(C(C(=O)O)N)S > 331 > 943.42353553 > 0 > 65 > 19 > 1 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 58 13 6 59 14 5 61 15 6 35 2 5 51 2 6 63 20 3 21 37 5 22 39 5 23 66 6 24 40 6 25 67 6 30 72 5 31 48 5 44 49 6 54 57 5 60 62 5 52 7 6 56 7 5 53 8 5 55 9 6 $$$$