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0 0 6.4617 3.8598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2366 1.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6547 4.4403 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1171 -0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2726 -0.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1606 2.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7337 -1.6067 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6776 0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6487 -1.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9005 4.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5998 -2.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0928 3.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5895 5.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8677 -3.1067 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5895 5.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8677 -4.1067 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0017 -4.6067 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1356 -3.1067 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1356 -4.1067 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2696 -2.6067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0974 1.3172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0173 1.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5692 0.2749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5855 0.9623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2773 0.5664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7537 4.4657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 2.4373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1906 1.6403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2849 2.2887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5875 2.6771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0296 3.6110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7688 4.3984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7141 0.7770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7079 1.5752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2059 4.7242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6489 -0.2502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6366 -1.0484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7501 -1.0604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7439 -0.2622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1582 3.5247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5406 2.9023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1630 2.2847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6800 0.8962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0576 0.2786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6753 -0.3438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0642 -1.8093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7525 -2.2137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4685 3.4544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2898 -2.6436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1367 -2.4167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9098 -1.5697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1866 5.7524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6789 3.1095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5086 3.1112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9529 5.6134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8677 -2.4867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8677 -4.7267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4647 -4.9167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1356 -2.4867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1356 -4.7267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7337 -5.2267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6682 -2.1317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8711 -2.1317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4647 -5.9167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2696 -5.2267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -2.7967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 1 0 0 0 1 68 1 0 0 0 0 23 2 1 1 0 0 0 2 72 1 0 0 0 0 27 3 1 1 0 0 0 34 3 1 1 0 0 0 4 32 1 0 0 0 0 4 35 1 0 0 0 0 5 34 1 0 0 0 0 5 38 1 0 0 0 0 6 35 2 0 0 0 0 36 7 1 6 0 0 0 7 81 1 0 0 0 0 37 8 1 1 0 0 0 8 84 1 0 0 0 0 39 9 1 6 0 0 0 9 85 1 0 0 0 0 10 40 1 0 0 0 0 10 86 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 12 41 1 1 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 42 1 6 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 14 26 1 1 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 15 28 1 1 0 0 0 16 22 1 0 0 0 0 16 25 1 0 0 0 0 16 43 1 1 0 0 0 17 19 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 23 1 0 0 0 0 18 30 1 1 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 22 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 23 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 24 29 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 27 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 29 1 0 0 0 0 27 31 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 30 32 1 0 0 0 0 30 33 2 0 0 0 0 31 69 1 0 0 0 0 31 70 1 0 0 0 0 31 71 1 0 0 0 0 32 73 1 0 0 0 0 32 74 1 0 0 0 0 33 35 1 0 0 0 0 33 75 1 0 0 0 0 34 36 1 0 0 0 0 34 76 1 0 0 0 0 36 37 1 0 0 0 0 36 77 1 0 0 0 0 37 39 1 0 0 0 0 37 78 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 1 0 0 0 38 79 1 0 0 0 0 39 80 1 0 0 0 0 40 82 1 0 0 0 0 40 83 1 0 0 0 0 M END > 70537566 > 1 > 1050 > 10 > 6 > 4 > AAADcfB4PAAAAAAAAAAAAAAAAAAAAYIAAAA0YMEAAAAAAGDAAAAAGgAACAAAD1SwgAMCCAAABgCIAiDSCAAAAAAgAAAACAAAAEgRFAIAIQAiUAAFwAAPIQPA4PwPgAAAAAAAAADAAAYAADAAAYQADAAAAA== > 3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-3,10,13-trimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-3,10,13-trimethyl-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-3,10,13-trimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-3,10,13-trimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,10,13-trimethyl-14,16-bis(oxidanyl)-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > 3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-3,10,13-trimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one > InChI=1S/C30H46O10/c1-27(40-26-25(36)24(35)23(34)20(13-31)39-26)8-9-28(2)16(11-27)4-5-18-17(28)6-7-29(3)22(15-10-21(33)38-14-15)19(32)12-30(18,29)37/h10,16-20,22-26,31-32,34-37H,4-9,11-14H2,1-3H3/t16-,17+,18-,19+,20-,22+,23-,24+,25-,26+,27+,28+,29-,30+/m1/s1 > HIPZALQESRFVKJ-SUKJAGEFSA-N > 0.2 > 566.30909766 > C30H46O10 > 566.7 > CC1(CCC2(C(C1)CCC3C2CCC4(C3(CC(C4C5=CC(=O)OC5)O)O)C)C)OC6C(C(C(C(O6)CO)O)O)O > C[C@@]1(CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(C[C@@H]([C@@H]4C5=CC(=O)OC5)O)O)C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O > 166 > 566.30909766 > 0 > 40 > 14 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 1 5 12 41 5 13 42 6 14 26 5 15 28 5 16 43 5 18 30 5 23 2 5 27 3 5 34 3 5 38 40 5 36 7 6 37 8 5 39 9 6 $$$$