Mrv1652306192121423D 186193 0 0 0 0 999 V2000 -0.8282 5.4229 7.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7393 4.1412 6.9862 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9009 2.8729 7.8354 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2927 2.7236 8.4422 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5525 1.6503 7.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4257 0.9422 7.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4206 1.4816 5.9809 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2784 0.3123 5.1251 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7029 -0.2772 4.9916 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0810 -0.7763 6.3054 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1254 -0.1778 6.9292 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8154 0.7279 6.4998 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2846 -0.8473 8.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0365 -0.4057 9.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1302 -1.2129 10.5419 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8106 0.8971 9.2909 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.2678 0.7158 8.8543 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.0055 2.0276 8.8537 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9009 2.4724 9.7567 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3126 1.7357 11.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5727 3.8086 9.5754 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7959 -1.4482 3.9852 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0585 -2.7097 4.4853 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2780 -1.8372 3.7872 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2290 -0.9856 2.6296 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7874 -0.4476 2.7127 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2511 -0.0948 1.3148 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3941 -1.0556 0.6205 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0049 -0.9046 -0.7418 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6646 0.4241 -1.4510 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3829 0.6130 -2.8631 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9193 0.4595 -2.7728 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8626 -0.5078 -3.8334 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4334 -0.0178 -5.2217 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3960 1.0080 -5.8223 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7063 0.4316 -5.9860 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8796 -0.3057 -7.2059 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1339 0.0263 -7.8181 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2717 -0.1465 -6.9652 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6638 1.1738 -6.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4511 2.2857 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0 0 0 0 0 0 0 -1.5650 -0.0304 -9.0554 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3806 0.8031 -7.9075 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4242 -2.4136 -9.8917 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8414 -2.5274 -10.0358 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8401 -3.7957 -9.5944 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1020 -4.6614 -10.7108 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6598 -3.7061 -9.3294 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1331 -5.0071 -8.9308 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4275 2.3023 -4.9261 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7906 3.0115 -5.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 3.2941 -5.5388 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 2.0063 -3.4412 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2752 3.1392 -2.4442 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4659 2.9648 -1.1583 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7050 1.6198 -0.4187 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1119 1.7220 0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4424 1.3342 0.7400 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8705 1.3607 0.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3618 2.4194 1.8814 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9614 3.6561 1.4517 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0339 2.0367 3.2221 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4549 2.0782 3.0781 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5608 0.6725 3.7746 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9787 0.7286 4.0453 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3693 1.8717 4.7917 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6301 6.2888 7.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8235 5.5529 8.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0922 5.4255 8.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 4.1173 6.4799 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4969 4.1685 6.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1754 2.9034 8.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3990 1.7511 8.9347 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4824 3.4970 9.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0732 2.7962 7.6774 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6795 -0.4376 5.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3925 0.5180 4.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7388 -1.7821 8.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7418 -0.6366 11.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5567 -2.1442 10.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1714 -1.4788 10.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3177 1.6535 8.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7785 1.3136 10.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3068 0.3070 7.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7679 -0.0248 9.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7721 2.6587 7.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1907 2.3812 11.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3651 1.4419 10.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7226 0.8355 11.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3363 4.4694 10.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6592 3.6821 9.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2553 4.3129 8.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0761 -3.4985 3.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0107 -2.5145 4.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5300 -3.1191 5.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7268 -2.2044 4.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8710 -0.9803 3.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3804 -2.6290 3.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2619 -1.8233 1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9016 -0.2305 2.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1856 -1.3010 3.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5139 -2.0459 1.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0846 -1.0185 -0.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6733 -1.7491 -1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3905 0.3380 -1.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4180 1.3182 -2.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3734 0.3441 -3.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2196 -0.4328 -2.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -1.0215 -3.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6238 -1.2905 -3.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5714 0.4175 -5.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3282 -0.8848 -5.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0317 1.2995 -6.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1369 0.0026 -7.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1147 -0.3550 -7.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9812 2.8002 -4.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3570 1.8719 -3.5847 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5140 2.6932 -5.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7234 -1.0141 -5.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2114 -2.7118 -5.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7026 -2.7993 -7.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3835 -4.9253 -7.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9968 -4.8164 -4.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7209 -7.3870 -6.5108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5962 -7.3364 -5.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4134 -5.9765 -7.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8653 -4.9371 -3.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8727 -6.8666 -3.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9870 -5.6226 -4.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0337 -7.7509 -5.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1354 -2.0705 -6.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5279 -2.9827 -7.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4885 -1.7734 -7.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0062 0.4185 -9.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6325 -0.0319 -9.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6808 1.6931 -8.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 -2.0512 -10.8492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9775 -3.2982 -10.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3566 -4.2517 -8.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5814 -5.4717 -10.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1913 -3.4557 -10.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0045 -4.8367 -8.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0728 3.1766 -6.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7697 3.9974 -4.5341 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5856 2.4376 -4.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6159 2.8640 -5.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6541 3.5483 -6.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3444 4.2345 -4.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1331 1.9710 -3.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9974 4.1084 -2.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3433 3.2049 -2.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5829 3.0762 -1.4419 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6905 3.8095 -0.4965 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2263 2.6493 0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3232 0.8932 0.9283 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9225 1.7439 -0.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0414 0.5332 -0.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0878 2.2900 -0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6606 1.2751 0.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6793 2.6474 2.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6318 4.3524 2.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8075 2.8358 3.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6411 2.8567 2.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5535 0.7612 3.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3185 -0.1708 4.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5399 1.5588 5.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 30 76 1 0 0 0 0 70 73 1 0 0 0 0 31 33 1 0 0 0 0 31 73 1 0 0 0 0 76 77 1 1 0 0 0 27 78 1 0 0 0 0 30 29 1 0 0 0 0 76 78 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 27 26 1 0 0 0 0 78 80 1 0 0 0 0 80 82 1 0 0 0 0 82 84 1 0 0 0 0 34 35 1 0 0 0 0 34 33 1 0 0 0 0 31 32 1 1 0 0 0 35 70 1 0 0 0 0 70 71 1 1 0 0 0 31 30 1 0 0 0 0 73 74 1 0 0 0 0 70 72 1 0 0 0 0 74 75 1 0 0 0 0 48 47 1 0 0 0 0 30125 1 6 0 0 0 78 79 1 6 0 0 0 26 84 1 0 0 0 0 46 44 1 0 0 0 0 46 57 1 0 0 0 0 37 57 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 44 1 0 0 0 0 26 25 1 0 0 0 0 84 8 1 0 0 0 0 8 9 1 0 0 0 0 9 22 1 0 0 0 0 22 25 1 0 0 0 0 35 36 1 0 0 0 0 26121 1 1 0 0 0 37 36 1 0 0 0 0 84 85 1 1 0 0 0 9 10 1 0 0 0 0 57 58 1 0 0 0 0 22 23 1 1 0 0 0 46 47 1 0 0 0 0 22 24 1 0 0 0 0 51 52 1 0 0 0 0 8 7 1 0 0 0 0 40 42 1 0 0 0 0 82 83 1 0 0 0 0 59 68 1 0 0 0 0 80 81 1 0 0 0 0 66 68 1 0 0 0 0 42 43 1 0 0 0 0 66 64 1 0 0 0 0 40 41 2 0 0 0 0 64 61 1 0 0 0 0 10 11 1 0 0 0 0 61 60 1 0 0 0 0 11 13 1 0 0 0 0 60 59 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 64 65 1 0 0 0 0 11 12 2 0 0 0 0 66 67 1 0 0 0 0 14 16 1 0 0 0 0 68 69 1 0 0 0 0 7 5 1 0 0 0 0 5 3 1 0 0 0 0 53 55 1 0 0 0 0 3 2 1 0 0 0 0 62 63 1 0 0 0 0 2 1 1 0 0 0 0 48 55 1 0 0 0 0 5 6 2 0 0 0 0 48 49 1 0 0 0 0 16 17 1 0 0 0 0 49 50 1 0 0 0 0 17 18 1 0 0 0 0 50 53 1 0 0 0 0 18 19 2 3 0 0 0 50 51 1 0 0 0 0 19 20 1 0 0 0 0 53 54 1 0 0 0 0 19 21 1 0 0 0 0 55 56 1 0 0 0 0 3 4 1 0 0 0 0 75 76 1 0 0 0 0 85 86 1 0 0 0 0 61 62 1 0 0 0 0 59 58 1 0 0 0 0 44 45 1 0 0 0 0 39 40 1 0 0 0 0 53147 1 1 0 0 0 55149 1 1 0 0 0 48142 1 6 0 0 0 50143 1 1 0 0 0 51144 1 0 0 0 0 51145 1 0 0 0 0 54148 1 0 0 0 0 56150 1 0 0 0 0 52146 1 0 0 0 0 59152 1 1 0 0 0 64157 1 6 0 0 0 65158 1 0 0 0 0 66159 1 1 0 0 0 67160 1 0 0 0 0 68161 1 6 0 0 0 69162 1 0 0 0 0 62154 1 0 0 0 0 62155 1 0 0 0 0 61153 1 1 0 0 0 63156 1 0 0 0 0 45140 1 0 0 0 0 44139 1 1 0 0 0 37134 1 6 0 0 0 39135 1 6 0 0 0 57151 1 1 0 0 0 46141 1 6 0 0 0 34131 1 0 0 0 0 34132 1 0 0 0 0 35133 1 6 0 0 0 33129 1 0 0 0 0 33130 1 0 0 0 0 73169 1 6 0 0 0 74170 1 0 0 0 0 74171 1 0 0 0 0 75172 1 0 0 0 0 75173 1 0 0 0 0 28122 1 0 0 0 0 29123 1 0 0 0 0 29124 1 0 0 0 0 32126 1 0 0 0 0 32127 1 0 0 0 0 32128 1 0 0 0 0 71163 1 0 0 0 0 71164 1 0 0 0 0 71165 1 0 0 0 0 72166 1 0 0 0 0 72167 1 0 0 0 0 72168 1 0 0 0 0 77174 1 0 0 0 0 77175 1 0 0 0 0 77176 1 0 0 0 0 80180 1 1 0 0 0 82182 1 1 0 0 0 79177 1 0 0 0 0 79178 1 0 0 0 0 79179 1 0 0 0 0 8 96 1 1 0 0 0 9 97 1 6 0 0 0 25119 1 0 0 0 0 25120 1 0 0 0 0 85184 1 0 0 0 0 85185 1 0 0 0 0 23113 1 0 0 0 0 23114 1 0 0 0 0 23115 1 0 0 0 0 24116 1 0 0 0 0 24117 1 0 0 0 0 24118 1 0 0 0 0 83183 1 0 0 0 0 81181 1 0 0 0 0 43136 1 0 0 0 0 43137 1 0 0 0 0 43138 1 0 0 0 0 13 98 1 0 0 0 0 15 99 1 0 0 0 0 15100 1 0 0 0 0 15101 1 0 0 0 0 16102 1 0 0 0 0 16103 1 0 0 0 0 3 92 1 1 0 0 0 2 90 1 0 0 0 0 2 91 1 0 0 0 0 1 87 1 0 0 0 0 1 88 1 0 0 0 0 1 89 1 0 0 0 0 17104 1 0 0 0 0 17105 1 0 0 0 0 18106 1 0 0 0 0 20107 1 0 0 0 0 20108 1 0 0 0 0 20109 1 0 0 0 0 21110 1 0 0 0 0 21111 1 0 0 0 0 21112 1 0 0 0 0 4 93 1 0 0 0 0 4 94 1 0 0 0 0 4 95 1 0 0 0 0 86186 1 0 0 0 0 M END > NP0027587 > NP-MRD > [H]OC([H])([H])[C@]1([H])O[C@@]([H])(O[C@]2([H])[C@@]([H])(O[H])[C@@]([H])(O[C@]([H])(O[C@@]3([H])C([H])([H])C([H])([H])[C@@]4(C([H])([H])[H])[C@@]([H])(C([H])([H])C([H])([H])[C@]5(C([H])([H])[H])[C@]4([H])C([H])([H])C([H])=C4[C@]6([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(OC(=O)C(\[H])=C(\C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@]([H])(OC(=O)[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])[C@]6(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]54C([H])([H])[H])C3(C([H])([H])[H])C([H])([H])[H])[C@@]2([H])O[C@@]2([H])O[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])C(=O)OC([H])([H])[H])[C@]([H])(O[H])[C@]1([H])O[H] > InChI=1S/C63H100O23/c1-14-31(5)53(76)86-52-51(82-39(67)24-30(4)17-15-16-29(2)3)58(6,7)25-33-32-18-19-37-60(10)22-21-38(59(8,9)36(60)20-23-61(37,11)62(32,12)49(74)50(75)63(33,52)28-66)81-57-48(85-56-44(72)42(70)40(68)34(26-64)79-56)46(45(73)47(84-57)54(77)78-13)83-55-43(71)41(69)35(27-65)80-55/h16,18,24,31,33-38,40-52,55-57,64-66,68-75H,14-15,17,19-23,25-28H2,1-13H3/b30-24-/t31-,33+,34+,35+,36+,37-,38+,40+,41-,42-,43-,44+,45-,46-,47-,48+,49+,50-,51+,52+,55+,56-,57+,60+,61-,62+,63+/m1/s1 > QRWPHIGHQIJJMM-ZGUUQZEYSA-N > C63H100O23 > 1225.47 > 1224.66553948 > 20 > 186 > 132.35845813076665 > 0 > 11 > 0 > 0 > methyl (2R,3R,4R,5S,6S)-6-{[(3S,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-10-{[(2Z)-3,7-dimethylocta-2,6-dienoyl]oxy}-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-{[(2R)-2-methylbutanoyl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-4-{[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxy-5-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylate > 3.34 > 3.4564303413333355 > -4.11 > 1 > 8 > 0 > 12.352438395671712 > 11.87600623706095 > -3.383435358095129 > 356.81 > 305.5531 > 21 > 0 > 9.59e-02 g/l > methyl (2R,3R,4R,5S,6S)-6-{[(3S,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-10-{[(2Z)-3,7-dimethylocta-2,6-dienoyl]oxy}-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9-{[(2R)-2-methylbutanoyl]oxy}-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-4-{[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxy-5-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylate > 0 > NP0027587 > 3beta-O-{[beta-D-glucopyranosyl-(1-2)][alpha-L-arabinofuranosyl(1-4)]-bet+ $$$$