14103656 -OEChem-05132423002D 123129 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 5.1350 -7.8322 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 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 8.6723 4.3783 0.0000 C 0 0 0 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 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 3 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 5.1350 -6.8322 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 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 5.4251 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 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 5.4641 -6.0222 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 7.4040 -7.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -5.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 -6.2496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 -6.9399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -6.5222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -8.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -8.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 44 1 0 0 0 0 2 36 1 0 0 0 0 2104 1 0 0 0 0 3 44 1 0 0 0 0 3 47 1 0 0 0 0 4 45 1 0 0 0 0 4 49 1 0 0 0 0 5 46 1 0 0 0 0 5111 1 0 0 0 0 6 48 1 0 0 0 0 6112 1 0 0 0 0 7 49 1 0 0 0 0 7 53 1 0 0 0 0 8 50 1 0 0 0 0 8116 1 0 0 0 0 9 50 2 0 0 0 0 10 51 1 0 0 0 0 10118 1 0 0 0 0 11 52 1 0 0 0 0 11121 1 0 0 0 0 12 54 1 0 0 0 0 12122 1 0 0 0 0 13 55 1 0 0 0 0 13123 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 19 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 15 56 1 0 0 0 0 16 18 1 0 0 0 0 16 27 1 0 0 0 0 16 32 1 0 0 0 0 17 20 1 0 0 0 0 17 25 1 0 0 0 0 17 34 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 18 57 1 0 0 0 0 19 21 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 23 1 0 0 0 0 20 31 2 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 30 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 35 1 0 0 0 0 23 62 1 0 0 0 0 24 28 1 0 0 0 0 24 36 1 0 0 0 0 24 41 1 0 0 0 0 25 28 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 31 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 27 33 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 29 73 1 0 0 0 0 30 33 1 0 0 0 0 30 74 1 0 0 0 0 31 75 1 0 0 0 0 32 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 34 81 1 0 0 0 0 34 82 1 0 0 0 0 34 83 1 0 0 0 0 35 37 1 0 0 0 0 35 84 1 0 0 0 0 35 85 1 0 0 0 0 36 38 1 0 0 0 0 36 86 1 0 0 0 0 37 38 1 0 0 0 0 37 42 1 0 0 0 0 37 43 1 0 0 0 0 38 87 1 0 0 0 0 38 88 1 0 0 0 0 39 89 1 0 0 0 0 39 90 1 0 0 0 0 39 91 1 0 0 0 0 40 92 1 0 0 0 0 40 93 1 0 0 0 0 40 94 1 0 0 0 0 41 95 1 0 0 0 0 41 96 1 0 0 0 0 41 97 1 0 0 0 0 42 98 1 0 0 0 0 42 99 1 0 0 0 0 42100 1 0 0 0 0 43101 1 0 0 0 0 43102 1 0 0 0 0 43103 1 0 0 0 0 44 45 1 0 0 0 0 44105 1 0 0 0 0 45 46 1 0 0 0 0 45106 1 0 0 0 0 46 48 1 0 0 0 0 46107 1 0 0 0 0 47 48 1 0 0 0 0 47 50 1 0 0 0 0 47108 1 0 0 0 0 48109 1 0 0 0 0 49 51 1 0 0 0 0 49110 1 0 0 0 0 51 52 1 0 0 0 0 51113 1 0 0 0 0 52 54 1 0 0 0 0 52114 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 53115 1 0 0 0 0 54117 1 0 0 0 0 55119 1 0 0 0 0 55120 1 0 0 0 0 M END > 14103656 > 1 > 1500 > 13 > 8 > 6 > AAADcfB8PAAAAAAAAAAAAAAAAAAAAAAAAAA0aMGCAAAAAADAAAAAGgAACAAADxSwgAMCCAAABgCIAiDSCAIAAAAgAAAACAFAAAgREBYAAQQiQAAFoAAPAAPK7PxPgAAAAAAAAADAAAYAADAAAAAAAAAAAA== > 3,4-dihydroxy-6-[(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-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylic acid > 3,4-dihydroxy-6-[(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-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanecarboxylic acid > 3,4-dihydroxy-6-[(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-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid > 3,4-dihydroxy-6-[(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-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid > 6-[(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-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxane-2-carboxylic acid > 3,4-dihydroxy-6-[(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-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-carboxylic acid > InChI=1S/C42H68O13/c1-37(2)17-21-20-9-10-24-40(6)13-12-26(38(3,4)23(40)11-14-42(24,8)41(20,7)16-15-39(21,5)25(44)18-37)53-36-33(30(48)29(47)32(54-36)34(50)51)55-35-31(49)28(46)27(45)22(19-43)52-35/h9,21-33,35-36,43-49H,10-19H2,1-8H3,(H,50,51) > PPWWANBMWAQXLQ-UHFFFAOYSA-N > 4.7 > 780.46599222 > C42H68O13 > 781.0 > CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C > CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C > 216 > 780.46599222 > 0 > 55 > 0 > 19 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 30 1 3 44 1 3 51 10 3 52 11 3 54 12 3 14 29 3 15 26 3 16 32 3 17 34 3 18 21 3 36 2 3 23 35 3 24 41 3 45 4 3 49 4 3 47 50 3 46 5 3 53 55 3 48 6 3 $$$$