70678360 -OEChem-05092415192D 132139 0 1 0 0 0 0 0999 V2000 16.3182 2.3831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4387 5.8797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5591 7.2612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3186 7.5437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6593 9.8711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8992 11.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4194 11.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6593 10.8711 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.3144 3.3831 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4503 2.8798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5823 3.3764 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3105 4.3831 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6743 2.8661 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6703 1.8244 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4426 4.8797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5785 4.3764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2556 4.6915 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2618 3.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4704 1.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5744 1.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8423 3.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7453 3.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3067 5.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7370 1.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6782 3.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7994 2.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.5626 5.6432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9731 6.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5130 5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5108 6.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1972 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1972 3.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3312 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1972 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 2.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5991 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8671 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8671 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0010 3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1350 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4030 1.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4030 2.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5369 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1593 12.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1593 12.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8503 11.4589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4683 11.4589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1913 2.4633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3168 3.8043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6768 0.9745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9044 5.1877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3642 4.9582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9683 4.2664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8677 4.7900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0129 2.5142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8003 2.7749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6906 1.2588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0791 1.9562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1789 0.8296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9771 0.8358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3047 3.4760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3015 4.3055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1517 3.8948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3535 3.9071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9267 5.3855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3043 6.0031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6867 5.3807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3415 0.7936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1398 0.7998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2981 3.8637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6805 4.4861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0582 3.8685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5926 3.4795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1882 2.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2589 2.1210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8564 2.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9006 6.1877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5114 6.8648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5132 6.0351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0153 5.5909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7341 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8172 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5772 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8112 1.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2097 1.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3110 3.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 2.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 2.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 3.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 1.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 0.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2241 13.0266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5528 12.5389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7657 12.5389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0945 13.0266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1224 9.5611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19 1 1 1 0 0 0 1 92 1 0 0 0 0 25 2 1 1 0 0 0 2 93 1 0 0 0 0 37 3 1 1 0 0 0 42 3 1 1 0 0 0 4 39 1 0 0 0 0 4 41 1 0 0 0 0 5 42 1 0 0 0 0 5 45 1 0 0 0 0 6 41 2 0 0 0 0 44 7 1 6 0 0 0 7106 1 0 0 0 0 46 8 1 6 0 0 0 48 8 1 1 0 0 0 9 48 1 0 0 0 0 9 51 1 0 0 0 0 52 10 1 6 0 0 0 54 10 1 6 0 0 0 50 11 1 6 0 0 0 11116 1 0 0 0 0 12 54 1 0 0 0 0 12 57 1 0 0 0 0 56 13 1 1 0 0 0 13126 1 0 0 0 0 58 14 1 1 0 0 0 14127 1 0 0 0 0 15 18 1 0 0 0 0 15132 1 0 0 0 0 16 62 2 0 0 0 0 17 63 2 0 0 0 0 18 62 1 0 0 0 0 18 63 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 19 28 1 0 0 0 0 20 21 1 0 0 0 0 20 29 1 0 0 0 0 20 64 1 1 0 0 0 21 23 1 0 0 0 0 21 26 1 0 0 0 0 21 65 1 6 0 0 0 22 25 1 0 0 0 0 22 27 1 0 0 0 0 22 33 1 1 0 0 0 23 24 1 0 0 0 0 23 32 1 0 0 0 0 23 35 1 1 0 0 0 24 30 1 0 0 0 0 24 34 1 0 0 0 0 24 66 1 1 0 0 0 25 26 1 0 0 0 0 25 67 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 27 31 1 0 0 0 0 27 38 1 1 0 0 0 27 70 1 0 0 0 0 28 31 1 0 0 0 0 28 71 1 0 0 0 0 28 72 1 0 0 0 0 29 30 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 30 75 1 0 0 0 0 30 76 1 0 0 0 0 31 77 1 0 0 0 0 31 78 1 0 0 0 0 32 36 1 0 0 0 0 32 79 1 0 0 0 0 32 80 1 0 0 0 0 33 81 1 0 0 0 0 33 82 1 0 0 0 0 33 83 1 0 0 0 0 34 37 1 0 0 0 0 34 84 1 0 0 0 0 34 85 1 0 0 0 0 35 86 1 0 0 0 0 35 87 1 0 0 0 0 35 88 1 0 0 0 0 36 37 1 0 0 0 0 36 89 1 0 0 0 0 36 90 1 0 0 0 0 37 91 1 0 0 0 0 38 39 1 0 0 0 0 38 40 2 0 0 0 0 39 94 1 0 0 0 0 39 95 1 0 0 0 0 40 41 1 0 0 0 0 40 96 1 0 0 0 0 42 43 1 0 0 0 0 42 97 1 0 0 0 0 43 44 1 0 0 0 0 43 98 1 0 0 0 0 43 99 1 0 0 0 0 44 46 1 0 0 0 0 44100 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 1 0 0 0 45101 1 0 0 0 0 46102 1 0 0 0 0 47103 1 0 0 0 0 47104 1 0 0 0 0 47105 1 0 0 0 0 48 49 1 0 0 0 0 48107 1 0 0 0 0 49 50 1 0 0 0 0 49108 1 0 0 0 0 49109 1 0 0 0 0 50 52 1 0 0 0 0 50110 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 1 0 0 0 51111 1 0 0 0 0 52112 1 0 0 0 0 53113 1 0 0 0 0 53114 1 0 0 0 0 53115 1 0 0 0 0 54 55 1 0 0 0 0 54117 1 0 0 0 0 55 56 1 0 0 0 0 55118 1 0 0 0 0 55119 1 0 0 0 0 56 58 1 0 0 0 0 56120 1 0 0 0 0 57 58 1 0 0 0 0 57 59 1 6 0 0 0 57121 1 0 0 0 0 58122 1 0 0 0 0 59123 1 0 0 0 0 59124 1 0 0 0 0 59125 1 0 0 0 0 60 61 1 0 0 0 0 60 62 1 0 0 0 0 60128 1 0 0 0 0 60129 1 0 0 0 0 61 63 1 0 0 0 0 61130 1 0 0 0 0 61131 1 0 0 0 0 M END > 70678360 > 1 > 1570 > 17 > 7 > 7 > AAADcfB+PgAAAAAAAAAAAAAAAAAAAeIEAAA0aNECAAAAAGDAAAAAHgAECAAAD1SxgAMCCAIQBgCIAiHSGAAAAAAgAAAgCAEAAEgRFBIAoQAmUAAFhCCPIQPF4PwPgAAAAAAAAADAAAYQADAAAYAADAAAAA== > 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;1-hydroxypyrrolidine-2,5-dione > 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[[(2R,4S,5S,6R)-5-[[(2S,4S,5S,6R)-5-[[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-oxanyl]oxy]-4-hydroxy-6-methyl-2-oxanyl]oxy]-4-hydroxy-6-methyl-2-oxanyl]oxy]-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;1-hydroxypyrrolidine-2,5-dione > 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;1-hydroxypyrrolidine-2,5-dione > 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;1-hydroxypyrrolidine-2,5-dione > 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-10,13-dimethyl-3-[(2R,4S,5S,6R)-6-methyl-5-[(2S,4S,5S,6R)-6-methyl-5-[(2S,4S,5S,6R)-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-12,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;1-oxidanylpyrrolidine-2,5-dione > 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;1-hydroxypyrrolidine-2,5-quinone > InChI=1S/C41H64O14.C4H5NO3/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22;6-3-1-2-4(7)5(3)8/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3;8H,1-2H2/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+;/m1./s1 > FDNFJOYBCOZZJB-FZHNUIIGSA-N > 895.45654973 > C45H69NO17 > 896.0 > CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)O)C)C)C)O)O.C1CC(=O)N(C1=O)O > C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O.C1CC(=O)N(C1=O)O > 261 > 895.45654973 > 0 > 63 > 21 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 19 1 5 52 10 6 54 10 6 50 11 6 56 13 5 58 14 5 25 2 5 20 64 5 21 65 6 22 33 5 23 35 5 24 66 5 27 38 5 37 3 5 42 3 5 45 47 5 51 53 5 57 59 6 44 7 6 46 8 6 48 8 5 $$$$