71264256 -OEChem-05102416592D 137144 0 1 0 0 0 0 0999 V2000 6.8671 -1.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6424 7.5222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3112 -1.1406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.3322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.3322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.8323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -6.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -7.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -6.3322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -4.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -6.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7681 2.8680 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9040 2.3646 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8920 1.3231 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7643 3.8680 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7920 0.7988 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6801 2.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8963 4.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8046 -0.2861 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6921 1.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8762 5.4061 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7722 5.9373 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0361 2.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6723 4.3783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9421 0.7988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6763 5.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7522 3.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.8323 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0322 3.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0279 1.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9295 -0.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7497 3.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9223 5.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7764 7.0222 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9014 7.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8347 7.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8046 -0.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3113 -1.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6324 6.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3881 7.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9015 6.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.3322 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0010 -3.3322 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 -3.8322 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 -2.3322 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 -3.3322 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8671 -4.8322 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 -1.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -5.3322 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7331 -6.3322 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0010 -6.3322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -6.8322 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4651 -5.3322 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3312 -4.8322 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.1972 -5.3322 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3312 -6.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -6.3322 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4398 2.0526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3314 0.4929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2921 2.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8824 2.9507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9079 0.7418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3017 1.4362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3466 5.0837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4251 2.9666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8263 2.2779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8791 3.7938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2836 4.4820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7398 1.3848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3300 0.6998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2868 5.3115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8876 6.0028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8623 2.4352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3624 3.1554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6422 3.6556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4046 -1.1412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4941 4.1692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3400 2.3621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4922 2.1385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 1.2907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3199 -0.1730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7137 -0.8674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6444 3.0871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3607 3.5928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8550 4.3091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3095 6.0173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7246 5.3354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3128 6.7112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2302 8.0386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4319 8.0325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3855 -0.0619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6922 0.3313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7767 -1.4624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6254 -1.6828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8458 -0.8342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9486 5.9139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1657 6.7634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3162 6.9806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9202 8.1842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0699 8.3981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8560 7.5478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8920 7.6123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2816 6.9828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9111 6.3725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6424 8.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9312 -1.1358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.9522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.7122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -4.5222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.4522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -5.6422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -6.9522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -6.2246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -6.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -7.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.7122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -7.4522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -8.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -4.5222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 -5.6422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 -7.3072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 -7.3072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -6.9522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -3.5222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 -5.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -7.4522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 1 48 1 0 0 0 0 2 40 1 0 0 0 0 2111 1 0 0 0 0 3 43 1 0 0 0 0 3113 1 0 0 0 0 4 48 1 0 0 0 0 4 51 1 0 0 0 0 5 49 1 0 0 0 0 5 53 1 0 0 0 0 6 50 1 0 0 0 0 6119 1 0 0 0 0 7 52 1 0 0 0 0 7120 1 0 0 0 0 8 53 1 0 0 0 0 8 57 1 0 0 0 0 9 54 1 0 0 0 0 9123 1 0 0 0 0 10 54 2 0 0 0 0 11 55 1 0 0 0 0 11 59 1 0 0 0 0 12 56 1 0 0 0 0 12128 1 0 0 0 0 13 58 1 0 0 0 0 13129 1 0 0 0 0 14 59 1 0 0 0 0 14 62 1 0 0 0 0 15 60 1 0 0 0 0 15135 1 0 0 0 0 16 61 1 0 0 0 0 16136 1 0 0 0 0 17 63 1 0 0 0 0 17137 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 23 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 19 64 1 0 0 0 0 20 22 1 0 0 0 0 20 31 1 0 0 0 0 20 36 1 0 0 0 0 21 24 1 0 0 0 0 21 30 1 0 0 0 0 21 38 1 0 0 0 0 22 25 1 0 0 0 0 22 26 1 0 0 0 0 22 65 1 0 0 0 0 23 26 1 0 0 0 0 23 66 1 0 0 0 0 23 67 1 0 0 0 0 24 27 1 0 0 0 0 24 35 2 0 0 0 0 25 34 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 27 28 1 0 0 0 0 27 39 1 0 0 0 0 27 70 1 0 0 0 0 28 32 1 0 0 0 0 28 40 1 0 0 0 0 28 45 1 0 0 0 0 29 35 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 30 32 1 0 0 0 0 30 73 1 0 0 0 0 30 74 1 0 0 0 0 31 37 1 0 0 0 0 31 75 1 0 0 0 0 31 76 1 0 0 0 0 32 77 1 0 0 0 0 32 78 1 0 0 0 0 33 79 1 0 0 0 0 33 80 1 0 0 0 0 33 81 1 0 0 0 0 34 37 1 0 0 0 0 34 82 1 0 0 0 0 35 83 1 0 0 0 0 36 84 1 0 0 0 0 36 85 1 0 0 0 0 36 86 1 0 0 0 0 37 87 1 0 0 0 0 37 88 1 0 0 0 0 38 89 1 0 0 0 0 38 90 1 0 0 0 0 38 91 1 0 0 0 0 39 41 1 0 0 0 0 39 92 1 0 0 0 0 39 93 1 0 0 0 0 40 42 1 0 0 0 0 40 94 1 0 0 0 0 41 42 1 0 0 0 0 41 46 1 0 0 0 0 41 47 1 0 0 0 0 42 95 1 0 0 0 0 42 96 1 0 0 0 0 43 97 1 0 0 0 0 43 98 1 0 0 0 0 44 99 1 0 0 0 0 44100 1 0 0 0 0 44101 1 0 0 0 0 45102 1 0 0 0 0 45103 1 0 0 0 0 45104 1 0 0 0 0 46105 1 0 0 0 0 46106 1 0 0 0 0 46107 1 0 0 0 0 47108 1 0 0 0 0 47109 1 0 0 0 0 47110 1 0 0 0 0 48 49 1 0 0 0 0 48112 1 0 0 0 0 49 50 1 0 0 0 0 49114 1 0 0 0 0 50 52 1 0 0 0 0 50115 1 0 0 0 0 51 52 1 0 0 0 0 51 54 1 0 0 0 0 51116 1 0 0 0 0 52117 1 0 0 0 0 53 55 1 0 0 0 0 53118 1 0 0 0 0 55 56 1 0 0 0 0 55121 1 0 0 0 0 56 58 1 0 0 0 0 56122 1 0 0 0 0 57 58 1 0 0 0 0 57124 1 0 0 0 0 57125 1 0 0 0 0 58126 1 0 0 0 0 59 60 1 0 0 0 0 59127 1 0 0 0 0 60 61 1 0 0 0 0 60130 1 0 0 0 0 61 63 1 0 0 0 0 61131 1 0 0 0 0 62 63 1 0 0 0 0 62132 1 0 0 0 0 62133 1 0 0 0 0 63134 1 0 0 0 0 M END > 71264256 > 1 > 1730 > 17 > 10 > 8 > AAADcfB8PgAAAAAAAAAAAAAAAAAAAAAAAAA0aNGCAAAAAADAAAAAGgAACAAADxSwgAMCCAAABgCIAiDSCAIAAAAgAAAACAFAAAgREBYAAQQiQAAFoAAPAAPK7PxPgAAAAAAAAADAAAYAADAAAAAAAAAAAA== > 5-[4,5-dihydroxy-3-(3,4,5-trihydroxytetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-[[9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]tetrahydropyran-2-carboxylic acid > 5-[[4,5-dihydroxy-3-[(3,4,5-trihydroxy-2-oxanyl)oxy]-2-oxanyl]oxy]-3,4-dihydroxy-6-[[9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-2-oxanecarboxylic acid > 5-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]oxane-2-carboxylic acid > 5-[4,5-dihydroxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]oxane-2-carboxylic acid > 5-[4,5-bis(oxidanyl)-3-[3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-6-[[4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-9-oxidanyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-bis(oxidanyl)oxane-2-carboxylic acid > 5-[4,5-dihydroxy-3-(3,4,5-trihydroxytetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-[(9-hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-4-methylol-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]tetrahydropyran-2-carboxylic acid > InChI=1S/C46H74O17/c1-41(2)16-22-21-8-9-26-43(4)12-11-28(44(5,20-47)25(43)10-13-46(26,7)45(21,6)15-14-42(22,3)27(50)17-41)60-40-36(32(54)31(53)34(61-40)37(56)57)63-39-35(30(52)24(49)19-59-39)62-38-33(55)29(51)23(48)18-58-38/h8,22-36,38-40,47-55H,9-20H2,1-7H3,(H,56,57) > LSEXWHIJJSRJGA-UHFFFAOYSA-N > 2 > 898.49260089 > C46H74O17 > 899.1 > CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)C)C > CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)C)C > 275 > 898.49260089 > 0 > 63 > 0 > 23 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 34 1 3 48 1 3 55 11 3 59 11 3 56 12 3 58 13 3 60 15 3 61 16 3 63 17 3 18 33 3 19 29 3 40 2 3 20 36 3 21 38 3 22 26 3 25 44 3 27 39 3 28 45 3 49 5 3 53 5 3 51 54 3 50 6 3 52 7 3 $$$$