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1.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3676 -0.7384 1.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7308 -0.4847 0.1625 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5515 -2.9238 0.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3123 -3.0464 -0.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0648 -4.1446 -0.9007 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4526 -4.0466 -2.2269 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1969 -5.2063 -3.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 -3.0048 -2.6172 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2976 -2.1053 0.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9971 -2.3239 -0.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0648 -2.7238 -1.7131 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7821 -2.1214 0.1427 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4166 -2.6703 1.3848 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2565 -3.8612 1.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0217 -3.1447 1.3312 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9856 -2.0231 1.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5569 -0.9786 2.0201 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2528 -2.1867 0.9444 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6550 -2.2678 -0.3853 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6276 -2.7576 -1.3514 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1086 -0.8531 -0.7824 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.8904 -5.6212 -3.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3652 -5.0251 -2.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8645 -4.2206 -3.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7734 -2.2782 -2.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1214 2.1415 3.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5917 1.6272 2.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0717 0.6587 3.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3751 -0.7731 -0.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5269 3.5218 0.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0104 3.8121 0.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0425 4.7820 -0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0209 3.3871 -1.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9529 1.8160 -1.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5643 3.5322 -1.8767 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4459 4.6468 1.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9199 4.7392 -0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1127 5.0662 -1.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3843 9.3887 -0.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3849 8.5303 1.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9394 8.6929 0.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2110 3.0432 -1.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3009 4.3332 -0.5073 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1847 1.4014 1.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5121 2.3635 -1.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3222 0.9372 -1.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0470 0.6887 -0.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5653 -0.0934 0.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5194 0.1813 2.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0083 -0.0870 2.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4191 -1.1600 2.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6072 0.3359 1.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1029 -1.2562 1.1997 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3014 -3.6844 0.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8086 -5.0419 -4.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -6.1541 -2.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1237 -5.2849 -3.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5169 -1.9118 2.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8249 -4.3649 2.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3085 -3.5335 2.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2723 -4.5387 0.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 -3.7459 2.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 -3.8379 0.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5264 -2.9767 -0.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5971 -3.8749 -1.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 -2.4440 -2.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6387 -2.2925 -1.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5730 -0.1027 -0.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8005 -0.7023 -1.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 9 14 2 0 0 0 0 8 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 25 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 2 0 0 0 0 39 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 49 2 0 0 0 0 45 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 51 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 57 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 62 1 0 0 0 0 14 5 1 0 0 0 0 50 37 1 0 0 0 0 62 7 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 6 66 1 0 0 0 0 12 67 1 0 0 0 0 12 68 1 0 0 0 0 12 69 1 0 0 0 0 14 70 1 0 0 0 0 18 71 1 1 0 0 0 19 72 1 0 0 0 0 19 73 1 0 0 0 0 19 74 1 0 0 0 0 20 75 1 0 0 0 0 20 76 1 0 0 0 0 24 77 1 0 0 0 0 24 78 1 0 0 0 0 25 79 1 6 0 0 0 28 80 1 0 0 0 0 28 81 1 0 0 0 0 28 82 1 0 0 0 0 30 83 1 0 0 0 0 30 84 1 0 0 0 0 34 85 1 1 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 89 1 0 0 0 0 36 90 1 0 0 0 0 38 91 1 0 0 0 0 42 92 1 0 0 0 0 42 93 1 0 0 0 0 42 94 1 0 0 0 0 44 95 1 0 0 0 0 48 96 1 0 0 0 0 48 97 1 0 0 0 0 48 98 1 0 0 0 0 54 99 1 1 0 0 0 55100 1 0 0 0 0 55101 1 0 0 0 0 55102 1 0 0 0 0 56103 1 0 0 0 0 56104 1 0 0 0 0 60105 1 1 0 0 0 61106 1 0 0 0 0 61107 1 0 0 0 0 61108 1 0 0 0 0 62109 1 0 0 0 0 62110 1 0 0 0 0 M END > NP0022896 > NP-MRD > [H]C1=C(OC(=O)C([H])([H])[H])C2=C(C([H])=C1OC(=O)C([H])([H])[H])C([H])([H])[C@]([H])(OC(=O)C([H])([H])[C@]([H])(OC(=O)C1=C(OC(=O)C([H])([H])[H])C([H])=C(OC(=O)C([H])([H])[H])C([H])=C1C([H])([H])[C@]([H])(OC(=O)C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])C([H])([H])OC(=O)C([H])([H])[C@]([H])(OC2=O)C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] > InChI=1S/C42H48O20/c1-20-10-29-14-31(58-24(5)43)16-34(61-27(8)46)39(29)41(51)56-22(3)12-36(48)53-19-33(60-26(7)45)18-38(50)55-21(2)11-30-15-32(59-25(6)44)17-35(62-28(9)47)40(30)42(52)57-23(4)13-37(49)54-20/h14-17,20-23,33H,10-13,18-19H2,1-9H3/t20-,21-,22-,23-,33+/m1/s1 > FFNMLCFKTIYAOS-JDFZNLSNSA-N > C42H48O20 > 872.826 > 872.273893946 > 10 > 110 > 87.48436212445816 > 0 > 0 > 0 > 0 > (4R,8R,18R,23S,27R)-12,23,31,33-tetrakis(acetyloxy)-4,8,18,27-tetramethyl-2,6,16,20,25-pentaoxo-3,7,17,21,26-pentaoxatricyclo[27.4.0.0^{10,15}]tritriaconta-1(33),10(15),11,13,29,31-hexaen-14-yl acetate > 2.91 > 3.522027338999998 > -5.67 > 1 > 3 > 0 > -6.158380437451482 > 262.99999999999994 > 206.76390000000004 > 10 > 0 > 1.85e-03 g/l > (4R,8R,18R,23S,27R)-12,23,31,33-tetrakis(acetyloxy)-4,8,18,27-tetramethyl-2,6,16,20,25-pentaoxo-3,7,17,21,26-pentaoxatricyclo[27.4.0.0^{10,15}]tritriaconta-1(33),10(15),11,13,29,31-hexaen-14-yl acetate > 0 > NP0022896 > BK223 B $$$$