Mrv1652306202101473D 67 73 0 0 0 0 999 V2000 -2.6169 -0.6524 -1.8778 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2474 -1.0295 -1.2433 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2238 0.0780 -1.6302 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2511 -0.3129 -1.4911 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5782 -1.6252 -2.1777 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9719 -1.8948 -1.9976 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7117 -2.7914 -1.6341 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2183 -3.3172 -0.2829 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8907 -3.9088 -2.5423 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0903 -3.8901 -3.4858 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0993 -4.5998 -4.4805 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0865 -2.7873 -3.1957 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8481 -1.7013 -4.0816 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8064 -2.4661 -1.7079 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5728 -3.4448 -0.9745 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 1.1917 -0.7236 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2016 0.7217 0.4110 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2536 -0.8014 0.2923 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2561 -1.4050 1.3159 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6767 -1.6709 0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7227 -2.6939 1.6695 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2527 -0.5079 2.5565 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4781 0.2668 2.6681 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1381 -0.5847 3.7585 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4857 0.1423 4.8988 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4688 1.0996 4.2075 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4041 1.6470 5.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2027 1.4087 6.5043 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8888 2.1541 6.8821 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3754 2.8460 5.8243 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5927 2.5395 4.7605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9835 0.2755 2.9432 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1282 -0.7205 3.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5747 1.1939 1.7494 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8482 1.2370 1.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5142 -0.3732 -2.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3244 -1.4847 -1.8492 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0905 0.2074 -1.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3904 0.4501 -2.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5594 -0.3541 -0.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8760 0.4900 -1.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4510 -1.5073 -3.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1581 -2.7443 -2.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6201 -4.1643 0.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2363 -3.7142 -0.3766 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2358 -2.5548 0.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1013 -3.1729 -3.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 -2.0499 -4.9852 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3966 -3.3490 -0.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2065 1.1531 0.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2731 -1.1592 0.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1613 -0.7663 0.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3091 -2.0681 1.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6961 -2.4449 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2760 -3.0472 2.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7372 -1.4470 3.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2180 0.7010 5.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9924 -0.5834 5.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0475 1.9670 3.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7793 0.7745 7.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4137 2.2968 7.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8693 3.0217 3.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0225 -0.2072 3.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4536 -1.3614 2.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2166 -1.3924 4.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8911 2.2293 1.9187 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0112 1.6245 0.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 26 32 1 0 0 0 0 18 17 1 0 0 0 0 32 22 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 12 1 0 0 0 0 12 14 1 0 0 0 0 10 11 2 0 0 0 0 17 34 1 0 0 0 0 5 6 1 0 0 0 0 17 16 1 0 0 0 0 12 13 1 0 0 0 0 3 16 1 0 0 0 0 22 23 1 6 0 0 0 24 23 1 0 0 0 0 2 18 1 0 0 0 0 19 20 1 0 0 0 0 2 3 1 0 0 0 0 2 1 1 6 0 0 0 18 19 1 0 0 0 0 26 27 1 0 0 0 0 19 22 1 0 0 0 0 34 35 1 0 0 0 0 32 34 1 0 0 0 0 32 33 1 1 0 0 0 22 24 1 0 0 0 0 18 51 1 1 0 0 0 2 14 1 0 0 0 0 7 8 1 1 0 0 0 3 4 1 0 0 0 0 14 15 1 1 0 0 0 27 31 2 0 0 0 0 4 5 1 0 0 0 0 5 7 1 0 0 0 0 14 7 1 0 0 0 0 24 25 1 0 0 0 0 31 30 1 0 0 0 0 30 29 1 0 0 0 0 29 28 2 0 0 0 0 28 27 1 0 0 0 0 25 26 1 0 0 0 0 19 21 1 1 0 0 0 34 66 1 1 0 0 0 24 56 1 1 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 59 1 6 0 0 0 17 50 1 6 0 0 0 3 39 1 6 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 42 1 6 0 0 0 12 47 1 1 0 0 0 6 43 1 0 0 0 0 13 48 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 35 67 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 15 49 1 0 0 0 0 31 62 1 0 0 0 0 29 61 1 0 0 0 0 28 60 1 0 0 0 0 21 55 1 0 0 0 0 M END > NP0033164 > NP-MRD > [H]O[C@@]1([H])C(=O)O[C@@]2(C([H])([H])[H])[C@]([H])(O[H])C([H])([H])[C@]3([H])O[C@@]4([H])[C@]([H])([C@]3(C([H])([H])[H])[C@@]12O[H])[C@](O[H])(C([H])([H])[H])[C@@]12O[C@]1([H])C([H])([H])[C@@]([H])(C1=C([H])OC([H])=C1[H])[C@]2(C([H])([H])[H])[C@@]4([H])O[H] > InChI=1S/C25H32O10/c1-20-11(10-5-6-32-9-10)7-14-25(20,34-14)22(3,30)16-15(17(20)27)33-13-8-12(26)23(4)24(31,21(13,16)2)18(28)19(29)35-23/h5-6,9,11-18,26-28,30-31H,7-8H2,1-4H3/t11-,12+,13-,14+,15-,16+,17-,18-,20+,21+,22+,23-,24-,25+/m0/s1 > HRTHMOOARAGYNK-YIROTGMCSA-N > C25H32O10 > 492.521 > 492.19954723 > 8 > 67 > 48.663104242545735 > 1 > 5 > 0 > 0 > (1S,2S,3R,4R,7S,8R,10S,12S,13R,14R,15R,17R,19S,20R)-15-(furan-3-yl)-3,4,8,13,20-pentahydroxy-2,7,14,20-tetramethyl-6,11,18-trioxahexacyclo[10.8.0.0^{2,10}.0^{3,7}.0^{14,19}.0^{17,19}]icosan-5-one > 0.51 > -1.4348539220000005 > -2.11 > 0 > 7 > 0 > 12.72874862459176 > 11.369946333790464 > -2.7732234535772293 > 162.35 > 114.74669999999999 > 1 > 1 > 3.79e+00 g/l > (1S,2S,3R,4R,7S,8R,10S,12S,13R,14R,15R,17R,19S,20R)-15-(furan-3-yl)-3,4,8,13,20-pentahydroxy-2,7,14,20-tetramethyl-6,11,18-trioxahexacyclo[10.8.0.0^{2,10}.0^{3,7}.0^{14,19}.0^{17,19}]icosan-5-one > 0 > NP0033164 > toonaciliatin F $$$$