71264234 -OEChem-05142404142D 139146 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 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 2 0 0 0 0 0 0 0 0 0 7.7643 3.8680 0.0000 C 0 0 2 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 8.6921 1.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8046 -0.2861 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 3 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 10.3312 -7.8322 0.0000 C 0 0 0 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 8.8094 -0.8984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4246 -0.2736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7998 0.3416 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 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 9.7942 -7.1422 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 9.7112 -7.8322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -8.4522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9512 -7.8322 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 33 1 0 0 0 0 1 47 1 0 0 0 0 2 39 1 0 0 0 0 2112 1 0 0 0 0 3 47 1 0 0 0 0 3 50 1 0 0 0 0 4 48 1 0 0 0 0 4 52 1 0 0 0 0 5 49 1 0 0 0 0 5119 1 0 0 0 0 6 51 1 0 0 0 0 6120 1 0 0 0 0 7 52 1 0 0 0 0 7 56 1 0 0 0 0 8 53 1 0 0 0 0 8123 1 0 0 0 0 9 53 2 0 0 0 0 10 54 1 0 0 0 0 10 58 1 0 0 0 0 11 55 1 0 0 0 0 11128 1 0 0 0 0 12 57 1 0 0 0 0 12129 1 0 0 0 0 13 58 1 0 0 0 0 13 61 1 0 0 0 0 14 59 1 0 0 0 0 14134 1 0 0 0 0 15 60 1 0 0 0 0 15138 1 0 0 0 0 16 62 1 0 0 0 0 16139 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 17 22 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 28 1 0 0 0 0 18 64 1 0 0 0 0 19 21 1 0 0 0 0 19 30 1 0 0 0 0 19 35 1 1 0 0 0 20 23 1 0 0 0 0 20 29 1 0 0 0 0 20 37 1 1 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 21 65 1 0 0 0 0 22 24 1 0 0 0 0 22 66 1 0 0 0 0 22 67 1 0 0 0 0 23 26 1 0 0 0 0 23 34 2 0 0 0 0 24 68 1 0 0 0 0 24 69 1 0 0 0 0 25 33 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 38 1 0 0 0 0 26 70 1 0 0 0 0 27 31 1 0 0 0 0 27 39 1 0 0 0 0 27 44 1 0 0 0 0 28 34 1 0 0 0 0 28 71 1 0 0 0 0 28 72 1 0 0 0 0 29 31 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 30 36 1 0 0 0 0 30 75 1 0 0 0 0 30 76 1 0 0 0 0 31 77 1 0 0 0 0 31 78 1 0 0 0 0 32 79 1 0 0 0 0 32 80 1 0 0 0 0 32 81 1 0 0 0 0 33 36 1 0 0 0 0 33 82 1 0 0 0 0 34 83 1 0 0 0 0 35 84 1 0 0 0 0 35 85 1 0 0 0 0 35 86 1 0 0 0 0 36 87 1 0 0 0 0 36 88 1 0 0 0 0 37 89 1 0 0 0 0 37 90 1 0 0 0 0 37 91 1 0 0 0 0 38 40 1 0 0 0 0 38 92 1 0 0 0 0 38 93 1 0 0 0 0 39 41 1 0 0 0 0 39 94 1 0 0 0 0 40 41 1 0 0 0 0 40 45 1 0 0 0 0 40 46 1 0 0 0 0 41 95 1 0 0 0 0 41 96 1 0 0 0 0 42 97 1 0 0 0 0 42 98 1 0 0 0 0 42 99 1 0 0 0 0 43100 1 0 0 0 0 43101 1 0 0 0 0 43102 1 0 0 0 0 44103 1 0 0 0 0 44104 1 0 0 0 0 44105 1 0 0 0 0 45106 1 0 0 0 0 45107 1 0 0 0 0 45108 1 0 0 0 0 46109 1 0 0 0 0 46110 1 0 0 0 0 46111 1 0 0 0 0 47 48 1 0 0 0 0 47113 1 0 0 0 0 48 49 1 0 0 0 0 48114 1 0 0 0 0 49 51 1 0 0 0 0 49115 1 0 0 0 0 50 51 1 0 0 0 0 50 53 1 0 0 0 0 50116 1 0 0 0 0 51117 1 0 0 0 0 52 54 1 0 0 0 0 52118 1 0 0 0 0 54 55 1 0 0 0 0 54121 1 0 0 0 0 55 57 1 0 0 0 0 55122 1 0 0 0 0 56 57 1 0 0 0 0 56124 1 0 0 0 0 56125 1 0 0 0 0 57126 1 0 0 0 0 58 59 1 0 0 0 0 58127 1 0 0 0 0 59 60 1 0 0 0 0 59130 1 0 0 0 0 60 62 1 0 0 0 0 60131 1 0 0 0 0 61 62 1 0 0 0 0 61 63 1 0 0 0 0 61132 1 0 0 0 0 62133 1 0 0 0 0 63135 1 0 0 0 0 63136 1 0 0 0 0 63137 1 0 0 0 0 M END > 71264234 > 1 > 1740 > 16 > 9 > 7 > AAADcfB8PgAAAAAAAAAAAAAAAAAAAAAAAAA0aNGCAAAAAADAAAAAGgAACAAADxSwgAMCCAAABgCIAiDSCAIAAAAgAAAACAFAAAgREBYAAQQiQAAFoAAPAAPK7PxPgAAAAAAAAADAAAYAADAAAAAAAAAAAA== > 6-[[(6bR,14bR)-9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-tetrahydropyran-2-carboxylic acid > 6-[[(6bR,14bR)-9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[[4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]-2-oxanyl]oxy]-3,4-dihydroxy-2-oxanecarboxylic acid > 6-[[(6bR,14bR)-9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid > 6-[[(6bR,14bR)-9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid > 6-[[(6bR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-9-oxidanyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[3-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxane-2-carboxylic acid > 6-[[(6bR,14bR)-9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-tetrahydropyran-2-carboxylic acid > InChI=1S/C47H76O16/c1-21-29(50)31(52)34(55)39(59-21)62-36-30(51)24(48)20-58-40(36)63-37-33(54)32(53)35(38(56)57)61-41(37)60-28-13-14-45(7)25(43(28,4)5)12-15-47(9)26(45)11-10-22-23-18-42(2,3)19-27(49)44(23,6)16-17-46(22,47)8/h10,21,23-37,39-41,48-55H,11-20H2,1-9H3,(H,56,57)/t21?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,39?,40?,41?,44?,45-,46-,47?/m0/s1 > AVJNWIDNAJCPRK-BWXDCRJZSA-N > 3.7 > 896.51333633 > C47H76O16 > 897.1 > CC1C(C(C(C(O1)OC2C(C(COC2OC3C(C(C(OC3OC4CCC5(C(C4(C)C)CCC6(C5CC=C7C6(CCC8(C7CC(CC8O)(C)C)C)C)C)C)C(=O)O)O)O)O)O)O)O)O > CC1C(C(C(C(O1)OC2C(C(COC2OC3C(C(C(OC3OC4CC[C@]5(C(C4(C)C)CCC6(C5CC=C7[C@@]6(CCC8(C7CC(CC8O)(C)C)C)C)C)C)C(=O)O)O)O)O)O)O)O)O > 255 > 896.51333633 > 0 > 63 > 2 > 21 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 33 1 3 47 1 3 54 10 3 58 10 3 55 11 3 57 12 3 59 14 3 60 15 3 62 16 3 17 32 3 18 28 3 19 35 5 39 2 3 20 37 5 21 24 3 26 38 3 27 44 3 48 4 3 52 4 3 49 5 3 50 53 3 51 6 3 61 63 3 $$$$