71492423 -OEChem-03292404132D 130135 0 1 0 0 0 0 0999 V2000 10.5763 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8812 10.5002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8442 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5839 16.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0974 15.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5763 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8442 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1122 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7102 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2461 5.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1122 7.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3083 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3083 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5763 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8442 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9782 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 9.2195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 7.7195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 8.7195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4773 11.0102 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6012 9.4653 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6132 10.5069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4735 12.0102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5012 8.9410 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3893 10.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5138 7.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4013 9.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6055 12.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5854 13.5483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4814 14.0795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3815 12.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6513 8.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3855 13.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5763 7.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7453 11.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4614 11.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6387 7.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7371 9.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4589 11.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7414 12.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6315 14.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4856 15.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6106 15.1501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5138 7.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0204 6.9940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5439 15.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3416 14.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6107 15.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0973 16.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7102 5.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7102 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8442 4.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9782 5.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9782 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5763 3.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1122 6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4423 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4423 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7102 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5763 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8442 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 9.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 8.7195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3477 10.0791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2406 8.5217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0013 10.4079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5916 11.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6171 8.8841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0109 9.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8593 13.1064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5883 11.9361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9928 12.6243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4490 9.5271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0392 8.8420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9960 13.4537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5968 14.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1138 7.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5715 10.5775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0716 11.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3514 11.7978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0291 7.9693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4229 7.2749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0492 10.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2014 10.2807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4250 9.4329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3536 11.2294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0699 11.7351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5642 12.4514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2033 12.3115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0187 14.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4337 13.4776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0961 15.0561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6969 15.7474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5185 7.2438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1337 7.8686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5090 8.4838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4859 6.6798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3346 6.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5550 7.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9394 16.1809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1411 16.1747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6578 14.0562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8749 14.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0254 15.1228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6012 15.7546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9908 15.1251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6203 14.5147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7102 6.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2472 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2657 17.4140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3811 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9782 6.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4412 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1132 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3073 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1122 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9792 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4423 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1733 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7092 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0393 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3083 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8452 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1132 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3811 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 9.6945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 9.6945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 9.0295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 8.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.9095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34 1 1 1 0 0 0 50 1 1 6 0 0 0 2 35 2 0 0 0 0 3 50 1 0 0 0 0 3 53 1 0 0 0 0 4 49 1 0 0 0 0 4110 1 0 0 0 0 5 49 2 0 0 0 0 51 6 1 6 0 0 0 55 6 1 1 0 0 0 52 7 1 1 0 0 0 7115 1 0 0 0 0 54 8 1 6 0 0 0 8116 1 0 0 0 0 9 55 1 0 0 0 0 9 59 1 0 0 0 0 10 56 1 0 0 0 0 10120 1 0 0 0 0 11 56 2 0 0 0 0 57 12 1 6 0 0 0 12122 1 0 0 0 0 58 13 1 1 0 0 0 13123 1 0 0 0 0 60 14 1 6 0 0 0 14124 1 0 0 0 0 15 61 1 0 0 0 0 15125 1 0 0 0 0 16 61 2 0 0 0 0 17 63 1 0 0 0 0 17130 1 0 0 0 0 18 63 2 0 0 0 0 19 62 1 0 0 0 0 19128 1 0 0 0 0 19129 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 20 25 1 0 0 0 0 20 36 1 1 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 21 32 1 0 0 0 0 21 38 1 1 0 0 0 22 35 1 0 0 0 0 22 64 1 6 0 0 0 23 28 1 0 0 0 0 23 31 1 0 0 0 0 23 39 1 6 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 24 65 1 6 0 0 0 25 27 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 26 34 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 68 1 0 0 0 0 27 69 1 0 0 0 0 28 29 1 0 0 0 0 28 40 2 0 0 0 0 29 30 1 0 0 0 0 29 41 1 0 0 0 0 29 70 1 1 0 0 0 30 33 1 0 0 0 0 30 42 1 0 0 0 0 30 47 1 1 0 0 0 31 33 1 0 0 0 0 31 71 1 0 0 0 0 31 72 1 0 0 0 0 32 37 1 0 0 0 0 32 73 1 0 0 0 0 32 74 1 0 0 0 0 33 75 1 0 0 0 0 33 76 1 0 0 0 0 34 37 1 0 0 0 0 34 77 1 0 0 0 0 35 40 1 0 0 0 0 36 78 1 0 0 0 0 36 79 1 0 0 0 0 36 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 38 85 1 0 0 0 0 39 86 1 0 0 0 0 39 87 1 0 0 0 0 39 88 1 0 0 0 0 40 89 1 0 0 0 0 41 43 1 0 0 0 0 41 90 1 0 0 0 0 41 91 1 0 0 0 0 42 46 1 0 0 0 0 42 92 1 0 0 0 0 42 93 1 0 0 0 0 43 46 1 0 0 0 0 43 48 1 6 0 0 0 43 49 1 0 0 0 0 44 94 1 0 0 0 0 44 95 1 0 0 0 0 44 96 1 0 0 0 0 45 97 1 0 0 0 0 45 98 1 0 0 0 0 45 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 47104 1 0 0 0 0 48105 1 0 0 0 0 48106 1 0 0 0 0 48107 1 0 0 0 0 50 51 1 0 0 0 0 50108 1 0 0 0 0 51 52 1 0 0 0 0 51109 1 0 0 0 0 52 54 1 0 0 0 0 52111 1 0 0 0 0 53 54 1 0 0 0 0 53 56 1 1 0 0 0 53112 1 0 0 0 0 54113 1 0 0 0 0 55 57 1 0 0 0 0 55114 1 0 0 0 0 57 58 1 0 0 0 0 57117 1 0 0 0 0 58 60 1 0 0 0 0 58118 1 0 0 0 0 59 60 1 0 0 0 0 59 61 1 1 0 0 0 59119 1 0 0 0 0 60121 1 0 0 0 0 62 63 1 0 0 0 0 62126 1 0 0 0 0 62127 1 0 0 0 0 M END > 71492423 > 1 > 1770 > 19 > 10 > 8 > AAADcfB+PgAAAAAAAAAAAAAAAAAAAAAAAAA0aMGCAAAAAADAAAAAHgAQCAAADxTxgAcCCABABgCIAqDSCAIAAAAgAAAACIHAAEgTEBYAAQQiQAAFoAAPAQPK7PzPgAAAAAAAAADAAAYAADAAAAAAAAAAAA== > (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-aminoacetic 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-aminoacetic 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-aminoacetic 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-aminoacetic 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-azanylethanoic 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-aminoacetic acid > InChI=1S/C42H62O16.C2H5NO2/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;3-1-2(4)5/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);1,3H2,(H,4,5)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;/m0./s1 > LOYRPKPNOAZZQK-OOFFSTKBSA-N > 897.43581429 > C44H67NO18 > 898.0 > 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(=O)O)N > 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(=O)O)N > 330 > 897.43581429 > 0 > 63 > 19 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 34 1 5 50 1 6 57 12 6 58 13 5 60 14 6 20 36 5 21 38 5 22 64 6 23 39 6 24 65 6 29 70 5 30 47 5 43 48 6 53 56 5 59 61 5 51 6 6 55 6 5 52 7 5 54 8 6 $$$$