54757371 -OEChem-04232418262D 137143 0 1 0 0 0 0 0999 V2000 12.0407 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3456 10.5002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3086 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0483 16.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5619 15.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0407 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3086 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5766 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1747 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7106 5.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5766 7.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7727 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7727 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0407 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3086 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4426 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 10.6883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1399 8.6193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 6.9720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3798 8.3405 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8798 9.8793 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6197 8.6193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4608 7.3321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9418 11.0102 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0656 9.4653 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0777 10.5069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9379 12.0102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9657 8.9410 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8537 10.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9782 7.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8657 9.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0700 12.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0499 13.5483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9459 14.0795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8459 12.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1157 8.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8500 13.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0407 7.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2097 11.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9259 11.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1032 7.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2015 9.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9234 11.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2059 12.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0960 14.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9501 15.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0750 15.1501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9782 7.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4849 6.9940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0083 15.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8061 14.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0752 15.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5618 16.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1747 5.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1747 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3086 4.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4426 5.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4426 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0407 3.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5766 6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9067 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9067 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1747 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0407 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3086 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5708 8.9283 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8798 9.8793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1888 8.9283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4118 7.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8121 10.0791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7051 8.5217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4657 10.4079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0560 11.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0815 8.8841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4753 9.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3238 13.1064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0527 11.9361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4572 12.6243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9134 9.5271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5037 8.8420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4604 13.4537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0613 14.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5782 7.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0359 10.5775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5360 11.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8159 11.7978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4936 7.9693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8874 7.2749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5136 10.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6658 10.2807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8895 9.4329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8181 11.2294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5344 11.7351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0287 12.4514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6677 12.3115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4832 14.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8982 13.4776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5605 15.0561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1614 15.7474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9830 7.2438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5982 7.8686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9734 8.4838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9504 6.6798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7990 6.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0194 7.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4038 16.1809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6056 16.1747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1223 14.0562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3394 14.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4899 15.1228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0656 15.7546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4552 15.1251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0847 14.5147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1747 6.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7116 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7301 17.4140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8456 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4426 6.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9057 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5776 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7717 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5766 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4437 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9067 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6377 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1736 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5038 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7727 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3097 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5776 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8456 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4738 8.3159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3798 7.7205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2442 10.3809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1590 9.0341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3318 6.7256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.7470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 38 1 1 1 0 0 0 54 1 1 6 0 0 0 2 39 2 0 0 0 0 3 54 1 0 0 0 0 3 57 1 0 0 0 0 4 53 1 0 0 0 0 4116 1 0 0 0 0 5 53 2 0 0 0 0 55 6 1 6 0 0 0 59 6 1 1 0 0 0 56 7 1 1 0 0 0 7121 1 0 0 0 0 58 8 1 6 0 0 0 8122 1 0 0 0 0 9 59 1 0 0 0 0 9 63 1 0 0 0 0 10 60 1 0 0 0 0 10126 1 0 0 0 0 11 60 2 0 0 0 0 61 12 1 6 0 0 0 12128 1 0 0 0 0 62 13 1 1 0 0 0 13129 1 0 0 0 0 64 14 1 6 0 0 0 14130 1 0 0 0 0 15 65 1 0 0 0 0 15131 1 0 0 0 0 16 65 2 0 0 0 0 17 67 2 0 0 0 0 18 68 2 0 0 0 0 19 69 2 0 0 0 0 20 66 1 0 0 0 0 20 68 1 0 0 0 0 20133 1 0 0 0 0 21 67 1 0 0 0 0 21 68 1 0 0 0 0 21134 1 0 0 0 0 22 66 1 0 0 0 0 22 69 1 0 0 0 0 22135 1 0 0 0 0 23 69 1 0 0 0 0 23136 1 0 0 0 0 23137 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 24 29 1 0 0 0 0 24 40 1 1 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 25 36 1 0 0 0 0 25 42 1 1 0 0 0 26 39 1 0 0 0 0 26 70 1 6 0 0 0 27 32 1 0 0 0 0 27 35 1 0 0 0 0 27 43 1 6 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 28 71 1 6 0 0 0 29 31 1 0 0 0 0 29 72 1 0 0 0 0 29 73 1 0 0 0 0 30 38 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 31 74 1 0 0 0 0 31 75 1 0 0 0 0 32 33 1 0 0 0 0 32 44 2 0 0 0 0 33 34 1 0 0 0 0 33 45 1 0 0 0 0 33 76 1 1 0 0 0 34 37 1 0 0 0 0 34 46 1 0 0 0 0 34 51 1 1 0 0 0 35 37 1 0 0 0 0 35 77 1 0 0 0 0 35 78 1 0 0 0 0 36 41 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 41 1 0 0 0 0 38 83 1 0 0 0 0 39 44 1 0 0 0 0 40 84 1 0 0 0 0 40 85 1 0 0 0 0 40 86 1 0 0 0 0 41 87 1 0 0 0 0 41 88 1 0 0 0 0 42 89 1 0 0 0 0 42 90 1 0 0 0 0 42 91 1 0 0 0 0 43 92 1 0 0 0 0 43 93 1 0 0 0 0 43 94 1 0 0 0 0 44 95 1 0 0 0 0 45 47 1 0 0 0 0 45 96 1 0 0 0 0 45 97 1 0 0 0 0 46 50 1 0 0 0 0 46 98 1 0 0 0 0 46 99 1 0 0 0 0 47 50 1 0 0 0 0 47 52 1 6 0 0 0 47 53 1 0 0 0 0 48100 1 0 0 0 0 48101 1 0 0 0 0 48102 1 0 0 0 0 49103 1 0 0 0 0 49104 1 0 0 0 0 49105 1 0 0 0 0 50106 1 0 0 0 0 50107 1 0 0 0 0 51108 1 0 0 0 0 51109 1 0 0 0 0 51110 1 0 0 0 0 52111 1 0 0 0 0 52112 1 0 0 0 0 52113 1 0 0 0 0 54 55 1 0 0 0 0 54114 1 0 0 0 0 55 56 1 0 0 0 0 55115 1 0 0 0 0 56 58 1 0 0 0 0 56117 1 0 0 0 0 57 58 1 0 0 0 0 57 60 1 1 0 0 0 57118 1 0 0 0 0 58119 1 0 0 0 0 59 61 1 0 0 0 0 59120 1 0 0 0 0 61 62 1 0 0 0 0 61123 1 0 0 0 0 62 64 1 0 0 0 0 62124 1 0 0 0 0 63 64 1 0 0 0 0 63 65 1 1 0 0 0 63125 1 0 0 0 0 64127 1 0 0 0 0 66 67 1 0 0 0 0 66132 1 0 0 0 0 M END > 54757371 > 1 > 1960 > 19 > 12 > 8 > AAADcfB/vgAAAAAAAAAAAAAAAAAAAWAAAAA0aMGCAAAAAADAAAAAHgAQCAAADxTxgAcDCALABgCIAqHSGAIAAAAgAAAACIHIAEiRUBYAASQyQAANtyIPAQPK7PzPgAAAAAAAAADAAAYAADAAAAAAAAAAAA== > (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;(2,5-dioxoimidazolidin-4-yl)urea > (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;(2,5-dioxo-4-imidazolidinyl)urea > (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;(2,5-dioxoimidazolidin-4-yl)urea > (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;(2,5-dioxoimidazolidin-4-yl)urea > (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;1-[2,5-bis(oxidanylidene)imidazolidin-4-yl]urea > (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;allantoin > InChI=1S/C42H62O16.C4H6N4O3/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;5-3(10)6-1-2(9)8-4(11)7-1/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);1H,(H3,5,6,10)(H2,7,8,9,11)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;/m0./s1 > XFAGQHREOPRJDG-OOFFSTKBSA-N > 980.44777595 > C46H68N4O19 > 981.0 > 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.C1(C(=O)NC(=O)N1)NC(=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.C1(C(=O)NC(=O)N1)NC(=O)N > 380 > 980.44777595 > 0 > 69 > 19 > 1 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 38 1 5 54 1 6 61 12 6 62 13 5 64 14 6 66 22 3 24 40 5 25 42 5 26 70 6 27 43 6 28 71 6 33 76 5 34 51 5 47 52 6 57 60 5 55 6 6 59 6 5 63 65 5 56 7 5 58 8 6 $$$$