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0 0 0 0 0 0 0 0 0 0 0 0 13.7892 0.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6905 0.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6739 -1.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2594 2.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6250 0.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7426 -0.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7342 -1.3590 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.5163 2.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9299 3.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4679 2.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4696 3.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0022 -1.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1343 -1.8490 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2702 -1.3457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4022 -1.8423 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2625 -3.3457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3984 -2.8423 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2586 -4.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4099 0.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9327 -0.6092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0643 0.5066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6117 -1.9718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3153 1.7793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9168 1.0890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7919 2.1716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9948 2.1716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8181 1.5976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6274 -1.9253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0186 -1.2294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9546 -0.6750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7430 -0.4173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1141 -2.3486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9123 -2.3455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2501 0.2819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2501 1.1114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0987 0.7205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3006 0.7359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2766 -2.3775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0748 -2.3744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8794 2.1966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2594 2.8166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6394 2.1966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2450 0.6850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6298 1.3098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0050 0.6946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5380 0.3112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1310 -0.3754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7330 -1.9790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7963 -1.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4698 3.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4684 2.8479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9688 2.3940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4026 -0.8789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6055 -0.8759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6700 -2.1611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7344 -1.0336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -2.1503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7982 -3.6577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 -3.4623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6386 -4.3433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2562 -4.9656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8786 -4.3480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 -3.9590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7220 0.6934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 0.4697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0979 -0.3781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 69 1 0 0 0 0 2 27 1 0 0 0 0 2 32 1 0 0 0 0 3 29 1 0 0 0 0 3 31 1 0 0 0 0 4 31 2 0 0 0 0 5 33 1 0 0 0 0 5 36 1 0 0 0 0 34 6 1 1 0 0 0 6 39 1 0 0 0 0 35 7 1 1 0 0 0 7 83 1 0 0 0 0 37 8 1 1 0 0 0 8 84 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 40 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 41 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 13 25 1 0 0 0 0 14 20 1 0 0 0 0 14 23 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 21 1 0 0 0 0 17 28 1 0 0 0 0 17 47 1 0 0 0 0 18 20 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 21 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 26 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 27 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 27 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 27 68 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 30 31 1 0 0 0 0 30 72 1 0 0 0 0 33 32 1 6 0 0 0 32 73 1 0 0 0 0 32 74 1 0 0 0 0 33 34 1 0 0 0 0 33 75 1 0 0 0 0 34 35 1 0 0 0 0 34 76 1 0 0 0 0 35 37 1 0 0 0 0 35 77 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 6 0 0 0 36 78 1 0 0 0 0 37 79 1 0 0 0 0 38 80 1 0 0 0 0 38 81 1 0 0 0 0 38 82 1 0 0 0 0 39 85 1 0 0 0 0 39 86 1 0 0 0 0 39 87 1 0 0 0 0 M END > 70673948 > 1 > 984 > 8 > 3 > 5 > AAADcfB4PAAAAAAAAAAAAAAAAAAAAYIAAAA0YMEAAAAAAGDAAAAAGgAACAAAD1SggAICCAAABgCIAiDSCAAAAAAgAAAACAAAAEgBFAIAIQACUAAFgAALIQPA4PwPgAAAAAAAAADAAAYAADAAAYAADAAAAA== > 3-[3-[[(2S,3R,4R,5S,6R)-4,5-dihydroxy-3-methoxy-6-methyl-tetrahydropyran-2-yl]methoxy]-14-hydroxy-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 > 3-[3-[[(2S,3R,4R,5S,6R)-4,5-dihydroxy-3-methoxy-6-methyl-2-oxanyl]methoxy]-14-hydroxy-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 > 3-[3-[[(2S,3R,4R,5S,6R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]methoxy]-14-hydroxy-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 > 3-[3-[[(2S,3R,4R,5S,6R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]methoxy]-14-hydroxy-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 > 3-[3-[[(2S,3R,4R,5S,6R)-3-methoxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]methoxy]-10,13-dimethyl-14-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[3-[[(2S,3R,4R,5S,6R)-4,5-dihydroxy-3-methoxy-6-methyl-tetrahydropyran-2-yl]methoxy]-14-hydroxy-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 > InChI=1S/C31H48O8/c1-17-26(33)27(34)28(36-4)24(39-17)16-37-20-7-10-29(2)19(14-20)5-6-23-22(29)8-11-30(3)21(9-12-31(23,30)35)18-13-25(32)38-15-18/h13,17,19-24,26-28,33-35H,5-12,14-16H2,1-4H3/t17-,19?,20?,21?,22?,23?,24+,26-,27-,28+,29?,30?,31?/m1/s1 > JHPDZGUJIKSINC-DGTWYYNDSA-N > 2.5 > 548.33491849 > C31H48O8 > 548.7 > CC1C(C(C(C(O1)COC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)OC)O)O > C[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)COC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)OC)O)O > 115 > 548.33491849 > 0 > 39 > 5 > 8 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 9 1 3 10 18 3 11 15 3 12 24 3 13 25 3 14 20 3 17 28 3 27 2 3 33 32 6 36 38 6 34 6 5 35 7 5 37 8 5 $$$$