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0 0 0 0 0 -1.1678 -2.2941 -1.1452 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8975 5.9671 -3.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0688 6.9630 -4.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8140 5.2052 -4.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4878 6.1486 -0.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5803 4.6021 1.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1613 4.4422 0.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1085 2.2589 0.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 3.0848 0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9197 1.4951 -0.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 2.5725 -3.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0183 1.3935 -2.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0407 2.6955 -2.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8323 1.8388 -0.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8575 4.7407 -3.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4202 5.3243 -3.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9213 3.7438 -3.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0290 4.5147 -4.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3837 5.8274 -1.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5520 4.3670 -0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9122 5.9587 -0.2529 H 0 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0.0633 2.5005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3568 -1.4178 3.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4256 2.2863 3.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0121 3.0589 3.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4926 2.7428 4.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5177 -1.0497 1.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8723 -3.4622 2.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8374 -4.8394 2.8541 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6598 -4.4418 1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7504 -2.1805 2.8595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0601 -2.4964 4.9522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4489 -4.0521 4.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1137 -5.0443 3.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1086 -5.7261 2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3263 -1.8272 2.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6856 -2.9002 2.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9951 -2.9448 1.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3175 -4.4065 -0.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5120 -6.0565 0.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 -5.7030 -1.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6787 -6.4855 0.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7223 -6.2733 1.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5832 -7.1621 1.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7396 -2.9347 0.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0849 -4.0647 -1.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2534 -4.5574 -1.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7061 -2.3219 -2.1021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2438 -1.7292 -1.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 31 32 1 0 0 0 0 13 14 1 0 0 0 0 28 29 2 0 0 0 0 7 30 1 0 0 0 0 13 76 1 6 0 0 0 25 23 1 0 0 0 0 27 94 1 6 0 0 0 9 28 1 6 0 0 0 30 28 1 0 0 0 0 42 44 2 0 0 0 0 23 22 1 0 0 0 0 42 43 1 0 0 0 0 14 15 1 6 0 0 0 22 17 1 0 0 0 0 46 45 1 0 0 0 0 59 60 1 0 0 0 0 60 62 1 0 0 0 0 36 62 1 6 0 0 0 59 46 1 0 0 0 0 14 16 1 0 0 0 0 17 14 1 0 0 0 0 17 18 1 0 0 0 0 27 9 1 0 0 0 0 5 4 1 0 0 0 0 59 56 1 0 0 0 0 46 48 1 0 0 0 0 48 50 1 0 0 0 0 50 51 1 0 0 0 0 51 56 1 0 0 0 0 45 36 1 0 0 0 0 11 12 1 0 0 0 0 25 27 1 0 0 0 0 25 26 1 1 0 0 0 13 11 1 0 0 0 0 23 24 1 0 0 0 0 11 10 1 0 0 0 0 45 40 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 30 35 1 1 0 0 0 38 33 1 0 0 0 0 10 9 1 0 0 0 0 36 34 1 0 0 0 0 33 34 2 0 0 0 0 18 19 1 0 0 0 0 56 57 1 6 0 0 0 13 25 1 0 0 0 0 56 58 1 0 0 0 0 19 20 1 0 0 0 0 51 52 1 0 0 0 0 40 41 1 0 0 0 0 27 5 1 0 0 0 0 60 61 1 0 0 0 0 4 2 1 0 0 0 0 46 47 1 1 0 0 0 9 8 1 0 0 0 0 48 49 1 0 0 0 0 2 3 2 0 0 0 0 52 53 1 0 0 0 0 8 7 1 0 0 0 0 53 54 1 0 0 0 0 30 31 1 0 0 0 0 53 55 2 0 0 0 0 7 6 1 0 0 0 0 41 42 1 0 0 0 0 19 21 2 0 0 0 0 59126 1 6 0 0 0 6 5 1 0 0 0 0 45108 1 6 0 0 0 35 34 1 0 0 0 0 32 33 1 0 0 0 0 32 97 1 0 0 0 0 32 98 1 0 0 0 0 11 74 1 6 0 0 0 10 72 1 0 0 0 0 10 73 1 0 0 0 0 23 89 1 6 0 0 0 22 87 1 0 0 0 0 22 88 1 0 0 0 0 17 83 1 6 0 0 0 8 70 1 0 0 0 0 8 71 1 0 0 0 0 7 69 1 1 0 0 0 6 67 1 0 0 0 0 6 68 1 0 0 0 0 5 66 1 1 0 0 0 15 77 1 0 0 0 0 15 78 1 0 0 0 0 15 79 1 0 0 0 0 16 80 1 0 0 0 0 16 81 1 0 0 0 0 16 82 1 0 0 0 0 12 75 1 0 0 0 0 26 91 1 0 0 0 0 26 92 1 0 0 0 0 26 93 1 0 0 0 0 24 90 1 0 0 0 0 20 84 1 0 0 0 0 20 85 1 0 0 0 0 20 86 1 0 0 0 0 31 95 1 0 0 0 0 31 96 1 0 0 0 0 1 63 1 0 0 0 0 1 64 1 0 0 0 0 1 65 1 0 0 0 0 43105 1 0 0 0 0 43106 1 0 0 0 0 43107 1 0 0 0 0 60127 1 6 0 0 0 62129 1 0 0 0 0 62130 1 0 0 0 0 48112 1 6 0 0 0 50114 1 0 0 0 0 50115 1 0 0 0 0 51116 1 1 0 0 0 37 99 1 0 0 0 0 37100 1 0 0 0 0 38101 1 1 0 0 0 39102 1 0 0 0 0 39103 1 0 0 0 0 40104 1 1 0 0 0 57120 1 0 0 0 0 57121 1 0 0 0 0 57122 1 0 0 0 0 58123 1 0 0 0 0 58124 1 0 0 0 0 58125 1 0 0 0 0 61128 1 0 0 0 0 47109 1 0 0 0 0 47110 1 0 0 0 0 47111 1 0 0 0 0 49113 1 0 0 0 0 54117 1 0 0 0 0 54118 1 0 0 0 0 54119 1 0 0 0 0 M END > NP0036342 > NP-MRD > [H]O[C@@]1([H])C([H])([H])[C@@]23C4=C(C([H])([H])C([H])([H])[C@@]5(O4)C(=O)[C@]46C([H])([H])[C@@]5([H])C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])[C@@]4([H])[C@]4(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]4([H])[C@@]([H])(O[H])C6([H])[H])[C@@]([H])(C2([H])[H])C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])[C@@]3([H])[C@]2(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]12[H] > InChI=1S/C48H68O14/c1-21(49)58-30-13-25-17-46(19-28(53)36-42(5,6)34(60-23(3)51)15-32(55)44(36,9)38(30)46)40-27(25)11-12-48(62-40)26-14-31(59-22(2)50)39-45(10)33(56)16-35(61-24(4)52)43(7,8)37(45)29(54)20-47(39,18-26)41(48)57/h25-26,28-39,53-56H,11-20H2,1-10H3/t25-,26-,28+,29+,30+,31+,32+,33+,34+,35+,36-,37-,38+,39+,44-,45-,46+,47+,48+/m1/s1 > LXQRUBFETHTMTE-TXUNCWBTSA-N > C48H68O14 > 869.058 > 868.46090687 > 10 > 130 > 92.72120444631864 > 0 > 4 > 0 > 0 > (1S,1'S,3S,3'S,4R,4'R,6S,6'S,8S,8'S,9R,9'R,10S,10'S,11S,11'S,13S,13'S,17S)-6,6',11'-tris(acetyloxy)-3,3',8,8'-tetrahydroxy-5,5,5',5',9,9'-hexamethyl-15'-oxo-18-oxaspiro[pentacyclo[11.6.1.0^{1,10}.0^{4,9}.0^{14,19}]icosane-17,14'-tetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecan]-14(19)-en-11-yl acetate > 3.13 > 1.2427352686666673 > -4.85 > 1 > 9 > 0 > 14.553012525659053 > 14.111263417021593 > -2.8540414580557787 > 212.42 > 220.31470000000002 > 8 > 0 > 1.21e-02 g/l > (1S,1'S,3S,3'S,4R,4'R,6S,6'S,8S,8'S,9R,9'R,10S,10'S,11S,11'S,13S,13'S,17S)-6,6',11'-tris(acetyloxy)-3,3',8,8'-tetrahydroxy-5,5,5',5',9,9'-hexamethyl-15'-oxo-18-oxaspiro[pentacyclo[11.6.1.0^{1,10}.0^{4,9}.0^{14,19}]icosane-17,14'-tetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecan]-14(19)-en-11-yl acetate > 0 > NP0036342 > biexcisusin B $$$$