56836418 -OEChem-05181314522D 120123 0 1 0 0 0 0 0999 V2000 18.1049 5.6391 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 8.0833 3.1587 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3178 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 8.9320 -1.3446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7270 2.2078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0718 0.1588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6150 4.7674 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 16.1051 5.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 -2.3379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 -1.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4756 0.6688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0795 2.1588 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.3474 2.1654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1884 -4.3379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4525 -5.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7243 -4.3245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -2.8212 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7359 -1.3245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4591 0.2078 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6830 0.2009 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5930 0.7078 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.3251 0.7078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6750 -0.8407 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.4751 -0.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7396 -1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5771 -1.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3251 1.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2190 2.2424 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1251 1.7286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2190 0.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7562 0.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1251 0.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8000 -0.8479 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5930 1.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1019 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8083 0.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6907 1.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6672 -0.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4591 2.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1939 3.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0689 2.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1251 3.8840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2429 -2.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2429 -2.2545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0689 3.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9950 1.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6151 4.7442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6151 4.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0679 -0.8412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2000 -1.3379 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3359 -0.8346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2077 0.6621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3397 0.1654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3282 -2.8345 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2115 1.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3243 -3.8345 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4564 -4.3312 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5961 -2.8279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5923 -3.8279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -2.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1300 1.0178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6774 -1.4607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6932 -1.4141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0843 -0.7182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1798 -1.8375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9781 -1.8344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9485 2.6787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8144 -0.2967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6127 -0.3059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1644 1.2317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3663 1.2470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3342 0.1033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7360 0.7930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7988 -1.4679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6269 -0.9568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5004 -1.0332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5768 -0.1598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6038 0.8223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1967 0.1357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3107 1.1961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6955 1.8209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0708 1.2057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0846 -0.4440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8793 -0.8145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2498 -0.0198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4591 2.8278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9714 3.9058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5857 3.2069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2779 1.6801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6797 2.3699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7048 -1.9504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9350 -2.7965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7811 -2.5663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7072 -2.5666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5550 -2.7902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7787 -1.9424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6797 3.2427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2779 3.9325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6891 0.6960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5343 0.9294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3008 1.7746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1484 5.0604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2989 5.2776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0818 4.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0655 -1.4612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7357 -1.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8001 -0.5225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7458 0.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3421 0.7854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3306 -2.2146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9322 -1.0192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 0.3608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3219 -4.4545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9921 -4.6433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5985 -2.2079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5899 -4.4478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1860 -4.9579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9144 -5.6391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7219 -4.9445 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 6 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 0 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 0 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 > 56836418 > 1 > 1710 > 16 > 5 > 4 > AAADcfB8PgAAYAAAAAAAAAAAAAAAAAAAAAA0aMGCAAAAAADAAAAAGgAACAAADxSwgAMCCAAABgCIAqDSCAIAAAAgAAAACAFAAEgREBYAAQQiQAAFoAAPAQPK7PzPgAAAAAAAAADAAAYAADAAAAAAAAAAAA== > tripotassium;(2S,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,6aR,6bS,8aS,11S,12aR,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 > tripotassium;(2S,3S,4S,5R,6S)-6-[[(2S,3R,4S,5S,6S)-2-[[(3S,6aR,6bS,8aS,11S,12aR,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 > tripotassium;(2S,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,6aR,6bS,8aS,11S,12aR,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 > tripotassium;(2S,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,6aR,6bS,8aS,11S,12aR,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 > tripotassium;(2S,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,6aR,6bS,8aS,11S,12aR,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/C42H62O16.3K/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 > ZXHXYXSTAYNRLQ-WFDDSYDNSA-K > 936.271431 > C42H59K3O16 > 937.20316 > 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.[K+].[K+].[K+] > C[C@]12CC[C@](C[C@H]1C3=CC(=O)C4[C@]5(CC[C@@H](C(C5CC[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-].[K+].[K+].[K+] > 276 > 936.271431 > 0 > 61 > 17 > 2 > 0 > 0 > 0 > 4 > 5 > 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 35 3 23 39 6 24 27 3 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 6 $$$$