25210700 -OEChem-04232411042D 122126 0 1 0 0 0 0 0999 V2000 2.5495 8.4520 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 0.0000 8.4520 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 9.9660 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2709 10.5002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2339 6.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9736 16.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4872 15.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9660 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2339 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5019 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1000 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6359 5.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5019 7.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6980 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6980 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9660 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2339 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3679 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8671 11.0102 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9909 9.4653 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0030 10.5069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8632 12.0102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8910 8.9410 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7790 10.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9035 7.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7910 9.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9952 12.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9752 13.5483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8712 14.0795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7712 12.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0410 8.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7753 13.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9660 7.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1350 11.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8512 11.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0284 7.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1268 9.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8487 11.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1312 12.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0212 14.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8754 15.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0003 15.1501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9035 7.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4102 6.9940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9336 15.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7314 14.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0005 15.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 16.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1000 5.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1000 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2339 4.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3679 5.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3679 4.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9660 3.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5019 6.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8320 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8320 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1000 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9660 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2339 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7374 10.0791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6304 8.5217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3910 10.4079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9813 11.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0068 8.8841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4006 9.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2491 13.1064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9780 11.9361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3825 12.6243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8387 9.5271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4290 8.8420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3857 13.4537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9866 14.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4285 7.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9612 10.5775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4613 11.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7412 11.7978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4189 7.9693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8127 7.2749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4389 10.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5911 10.2807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8148 9.4329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7434 11.2294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4597 11.7351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9540 12.4514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5930 12.3115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4085 14.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8235 13.4776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4858 15.0561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0867 15.7474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9083 7.2438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5235 7.8686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8987 8.4838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8757 6.6798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7243 6.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9447 7.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3291 16.1809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5308 16.1747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0475 14.0562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2647 14.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4152 15.1228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9909 15.7546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3805 15.1251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0100 14.5147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6369 5.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1000 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6554 17.4140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6970 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3679 6.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8310 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4290 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6970 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5019 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3690 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8320 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5630 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0989 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4290 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6980 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2350 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5029 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7709 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33 3 1 1 0 0 0 49 3 1 6 0 0 0 4 34 2 0 0 0 0 5 49 1 0 0 0 0 5 52 1 0 0 0 0 6 48 1 0 0 0 0 6107 1 0 0 0 0 7 48 2 0 0 0 0 50 8 1 6 0 0 0 54 8 1 1 0 0 0 51 9 1 1 0 0 0 9112 1 0 0 0 0 53 10 1 6 0 0 0 10113 1 0 0 0 0 11 54 1 0 0 0 0 11 58 1 0 0 0 0 12 55 1 0 0 0 0 12117 1 0 0 0 0 13 55 2 0 0 0 0 56 14 1 6 0 0 0 14119 1 0 0 0 0 57 15 1 1 0 0 0 15120 1 0 0 0 0 59 16 1 6 0 0 0 16121 1 0 0 0 0 17 60 1 0 0 0 0 17122 1 0 0 0 0 18 60 2 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 19 24 1 0 0 0 0 19 35 1 1 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 31 1 0 0 0 0 20 37 1 1 0 0 0 21 34 1 0 0 0 0 21 61 1 6 0 0 0 22 27 1 0 0 0 0 22 30 1 0 0 0 0 22 38 1 6 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 23 62 1 6 0 0 0 24 26 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 33 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 27 28 1 0 0 0 0 27 39 2 0 0 0 0 28 29 1 0 0 0 0 28 40 1 0 0 0 0 28 67 1 1 0 0 0 29 32 1 0 0 0 0 29 41 1 0 0 0 0 29 46 1 1 0 0 0 30 32 1 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 31 36 1 0 0 0 0 31 70 1 0 0 0 0 31 71 1 0 0 0 0 32 72 1 0 0 0 0 32 73 1 0 0 0 0 33 36 1 0 0 0 0 33 74 1 0 0 0 0 34 39 1 0 0 0 0 35 75 1 0 0 0 0 35 76 1 0 0 0 0 35 77 1 0 0 0 0 36 78 1 0 0 0 0 36 79 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 38 85 1 0 0 0 0 39 86 1 0 0 0 0 40 42 1 0 0 0 0 40 87 1 0 0 0 0 40 88 1 0 0 0 0 41 45 1 0 0 0 0 41 89 1 0 0 0 0 41 90 1 0 0 0 0 42 45 1 0 0 0 0 42 47 1 6 0 0 0 42 48 1 0 0 0 0 43 91 1 0 0 0 0 43 92 1 0 0 0 0 43 93 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 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 47104 1 0 0 0 0 49 50 1 0 0 0 0 49105 1 0 0 0 0 50 51 1 0 0 0 0 50106 1 0 0 0 0 51 53 1 0 0 0 0 51108 1 0 0 0 0 52 53 1 0 0 0 0 52 55 1 1 0 0 0 52109 1 0 0 0 0 53110 1 0 0 0 0 54 56 1 0 0 0 0 54111 1 0 0 0 0 56 57 1 0 0 0 0 56114 1 0 0 0 0 57 59 1 0 0 0 0 57115 1 0 0 0 0 58 59 1 0 0 0 0 58 60 1 1 0 0 0 58116 1 0 0 0 0 59118 1 0 0 0 0 M CHG 2 1 1 2 1 M END > 25210700 > 1 > 1730 > 16 > 8 > 7 > AAADcfB8PgAAYAAAAAAAAAAAAAAAAAAAAAA0aMGCAAAAAADAAAAAGgAACAAADxSwgAMCCAAABgCIAqDSCAIAAAAgAAAACAFAAEgREBYAAQQiQAAFoAAPAQPK7PzPgAAAAAAAAADAAAYAADAAAAAAAAAAAA== > dipotassium;(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 > dipotassium;(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 > dipotassium;(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 > dipotassium;(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 > dipotassium;(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 > dipotassium;(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 > InChI=1S/C42H62O16.2K/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;;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);;/q;2*+1/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;;/m0../s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