24838409 -OEChem-05062404442D 120123 0 1 0 0 0 0 0999 V2000 6.3301 -8.9651 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4651 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.6905 8.9651 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 -2.4651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5011 1.7252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.4651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2038 8.1068 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.7173 7.2178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.4651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.4651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.4651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.9651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9651 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -5.4651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -7.4651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -8.4651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -8.4651 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 -6.9651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0972 2.2352 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2211 0.6903 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2331 1.7318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0934 3.2352 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1211 0.1660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0092 1.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1337 -0.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0212 0.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2254 3.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2053 4.7732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1013 5.3045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0014 3.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2712 0.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0054 4.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.4651 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3652 2.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0813 2.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2586 -0.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3570 1.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0788 3.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3613 3.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2514 5.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1055 6.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2305 6.3750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1337 -0.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6404 -1.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1638 6.9283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9615 5.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2306 6.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7172 7.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.9651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -3.9651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 -4.4651 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -2.9651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -3.9651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 -5.4651 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 -2.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.9651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 -6.9651 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 -6.9651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 -7.4651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 -7.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9676 1.3040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8605 -0.2533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6212 1.6328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2114 2.3179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2370 0.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6308 0.8034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 4.3313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2082 3.1610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6127 3.8492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0689 0.7521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6591 0.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6159 4.6787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2167 5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7337 -1.7740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1914 1.8024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6915 2.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9713 3.0228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6490 -0.8058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0428 -1.5002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6690 1.7293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8212 1.5057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0449 0.6579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9735 2.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6898 2.9600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1841 3.6763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8232 3.5364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6386 5.3845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0536 4.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7160 6.2810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3168 6.9723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1384 -1.5312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7536 -0.9065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1289 -0.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1058 -2.0952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9545 -2.3156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1749 -1.4670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5593 7.4058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7610 7.3997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2777 5.2811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4948 6.1306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6453 6.3478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2211 6.9795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6107 6.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2402 5.7396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.3451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.5851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -4.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.3451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -3.6551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -5.1551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -5.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -6.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -7.5851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -6.6551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -7.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.8451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -7.1551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -8.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34 4 1 1 0 0 0 50 4 1 6 0 0 0 5 35 2 0 0 0 0 6 50 1 0 0 0 0 6 53 1 0 0 0 0 7 49 1 0 0 0 0 8 49 2 0 0 0 0 51 9 1 6 0 0 0 55 9 1 1 0 0 0 52 10 1 1 0 0 0 10112 1 0 0 0 0 54 11 1 6 0 0 0 11113 1 0 0 0 0 12 55 1 0 0 0 0 12 59 1 0 0 0 0 13 56 1 0 0 0 0 14 56 2 0 0 0 0 57 15 1 6 0 0 0 15118 1 0 0 0 0 58 16 1 1 0 0 0 16119 1 0 0 0 0 60 17 1 6 0 0 0 17120 1 0 0 0 0 18 61 1 0 0 0 0 19 61 2 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 62 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 63 1 6 0 0 0 25 27 1 0 0 0 0 25 64 1 0 0 0 0 25 65 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 66 1 0 0 0 0 27 67 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 68 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 69 1 0 0 0 0 31 70 1 0 0 0 0 32 37 1 0 0 0 0 32 71 1 0 0 0 0 32 72 1 0 0 0 0 33 73 1 0 0 0 0 33 74 1 0 0 0 0 34 37 1 0 0 0 0 34 75 1 0 0 0 0 35 40 1 0 0 0 0 36 76 1 0 0 0 0 36 77 1 0 0 0 0 36 78 1 0 0 0 0 37 79 1 0 0 0 0 37 80 1 0 0 0 0 38 81 1 0 0 0 0 38 82 1 0 0 0 0 38 83 1 0 0 0 0 39 84 1 0 0 0 0 39 85 1 0 0 0 0 39 86 1 0 0 0 0 40 87 1 0 0 0 0 41 43 1 0 0 0 0 41 88 1 0 0 0 0 41 89 1 0 0 0 0 42 46 1 0 0 0 0 42 90 1 0 0 0 0 42 91 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 92 1 0 0 0 0 44 93 1 0 0 0 0 44 94 1 0 0 0 0 45 95 1 0 0 0 0 45 96 1 0 0 0 0 45 97 1 0 0 0 0 46 98 1 0 0 0 0 46 99 1 0 0 0 0 47100 1 0 0 0 0 47101 1 0 0 0 0 47102 1 0 0 0 0 48103 1 0 0 0 0 48104 1 0 0 0 0 48105 1 0 0 0 0 50 51 1 0 0 0 0 50106 1 0 0 0 0 51 52 1 0 0 0 0 51107 1 0 0 0 0 52 54 1 0 0 0 0 52108 1 0 0 0 0 53 54 1 0 0 0 0 53 56 1 1 0 0 0 53109 1 0 0 0 0 54110 1 0 0 0 0 55 57 1 0 0 0 0 55111 1 0 0 0 0 57 58 1 0 0 0 0 57114 1 0 0 0 0 58 60 1 0 0 0 0 58115 1 0 0 0 0 59 60 1 0 0 0 0 59 61 1 1 0 0 0 59116 1 0 0 0 0 60117 1 0 0 0 0 M CHG 6 1 1 2 1 3 1 7 -1 13 -1 18 -1 M END > 24838409 > 1 > 1710 > 16 > 5 > 4 > AAADcfB8PjAAAAAAAAAAAAAAAAAAAAAAAAA0aMGCAAAAAADAAAAAGgAACAAADxSwgAMCCAAABgCIAqDSCAIAAAAgAAAACAFAAEgREBYAAQQiQAAFoAAPAQPK7PzPgAAAAAAAAADAAAYAADAAAAAAAAAAAA== > trisodium;(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxylato-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-carboxylato-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate > trisodium;(2S,3S,4S,5R,6R)-6-[[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxylato-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-carboxylato-4,5-dihydroxy-3-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylate > trisodium;(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxylato-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-carboxylato-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate > trisodium;(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxylato-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-carboxylato-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate > trisodium;(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxylato-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-carboxylato-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylate > trisodium;(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxylato-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-carboxylato-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate > InChI=1S/C42H62O16.3Na/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;3*+1/p-3/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;;;/m0.../s1 > CCXAYLQLOLXXKE-DWJAGBRCSA-K > 888.34961864 > C42H59Na3O16 > 888.9 > 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.[Na+].[Na+].[Na+] > 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-].[Na+].[Na+].[Na+] > 276 > 888.34961864 > 0 > 61 > 19 > 0 > 0 > 0 > 0 > 4 > -1 > 1 5 255 > 52 10 5 54 11 6 57 15 6 58 16 5 60 17 6 20 36 5 21 38 5 22 62 6 23 39 6 24 63 6 29 68 5 30 47 5 34 4 5 50 4 6 43 48 6 53 56 5 59 61 5 51 9 6 55 9 5 $$$$