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1.2037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4908 -5.8088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9197 -5.8088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7974 -4.5712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9395 -3.7463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0816 -4.5712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4908 -0.8588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7763 -3.7463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2065 -0.0338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0829 -3.3338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -4.9838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0619 -2.5088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3487 -0.0338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4921 1.2037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9197 -0.8588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3671 -3.3338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10 9 2 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 16 15 1 0 0 0 0 18 17 2 0 0 0 0 27 1 1 0 0 0 0 28 9 1 0 0 0 0 29 19 1 0 0 0 0 29 28 1 0 0 0 0 30 24 1 0 0 0 0 31 20 1 0 0 0 0 32 21 1 0 0 0 0 33 22 1 0 0 0 0 34 23 1 0 0 0 0 35 25 1 0 0 0 0 36 11 1 0 0 0 0 37 10 1 0 0 0 0 38 12 1 0 0 0 0 39 27 1 0 0 0 0 40 30 1 0 0 0 0 41 31 1 0 0 0 0 42 35 1 0 0 0 0 43 39 1 0 0 0 0 44 41 1 0 0 0 0 45 42 1 0 0 0 0 49 43 1 0 0 0 0 50 44 1 0 0 0 0 51 46 1 0 0 0 0 52 47 1 0 0 0 0 53 48 1 0 0 0 0 56 32 1 0 0 0 0 56 46 1 0 0 0 0 57 33 1 0 0 0 0 57 47 1 0 0 0 0 58 34 1 0 0 0 0 58 48 1 0 0 0 0 59 54 1 0 0 0 0 59 55 1 0 0 0 0 60 54 1 0 0 0 0 61 40 1 0 0 0 0 62 45 1 0 0 0 0 63 60 1 0 0 0 0 64 49 1 0 0 0 0 65 50 1 0 0 0 0 66 51 1 0 0 0 0 67 53 1 0 0 0 0 68 52 1 0 0 0 0 69 55 1 0 0 0 0 70 61 1 0 0 0 0 71 62 1 0 0 0 0 72 2 1 0 0 0 0 72 3 1 0 0 0 0 72 15 1 0 0 0 0 72 19 1 0 0 0 0 73 4 1 0 0 0 0 73 16 1 0 0 0 0 73 17 1 0 0 0 0 73 29 1 0 0 0 0 74 5 1 0 0 0 0 74 13 1 0 0 0 0 74 36 1 0 0 0 0 74 37 1 0 0 0 0 75 6 1 0 0 0 0 75 26 1 0 0 0 0 75 36 1 0 0 0 0 75 38 1 0 0 0 0 76 7 1 0 0 0 0 76 18 1 0 0 0 0 76 28 1 0 0 0 0 77 8 1 0 0 0 0 77 14 1 0 0 0 0 77 37 1 0 0 0 0 77 76 1 0 0 0 0 78 20 1 0 0 0 0 79 21 1 0 0 0 0 80 22 1 0 0 0 0 81 23 1 0 0 0 0 82 26 1 0 0 0 0 83 30 1 0 0 0 0 84 39 1 0 0 0 0 85 40 1 0 0 0 0 86 41 1 0 0 0 0 87 42 1 0 0 0 0 88 43 1 0 0 0 0 89 44 1 0 0 0 0 90 45 1 0 0 0 0 91 46 1 0 0 0 0 92 47 1 0 0 0 0 93 48 1 0 0 0 0 94 49 1 0 0 0 0 95 50 1 0 0 0 0 96 51 1 0 0 0 0 97 52 1 0 0 0 0 98 53 1 0 0 0 0 99 54 1 0 0 0 0 100 55 1 0 0 0 0 101 63 2 0 0 0 0 102 63 1 0 0 0 0 103 24 1 0 0 0 0 103 70 1 0 0 0 0 104 25 1 0 0 0 0 104 64 1 0 0 0 0 105 27 1 0 0 0 0 105 64 1 0 0 0 0 106 31 1 0 0 0 0 106 65 1 0 0 0 0 107 32 1 0 0 0 0 107 66 1 0 0 0 0 108 33 1 0 0 0 0 108 68 1 0 0 0 0 109 34 1 0 0 0 0 109 67 1 0 0 0 0 110 35 1 0 0 0 0 110 71 1 0 0 0 0 111 38 1 0 0 0 0 111 69 1 0 0 0 0 112 56 1 0 0 0 0 112 65 1 0 0 0 0 113 57 1 0 0 0 0 113 66 1 0 0 0 0 114 58 1 0 0 0 0 114 71 1 0 0 0 0 115 59 1 0 0 0 0 115 70 1 0 0 0 0 116 60 1 0 0 0 0 116 69 1 0 0 0 0 117 61 1 0 0 0 0 117 67 1 0 0 0 0 118 62 1 0 0 0 0 118 68 1 0 0 0 0 M END > CHEM032740 > chemdb > CC1OC(OCC2OC(OC3C(O)C(O)C(OC4C(O)C(O)COC4OC4C(O)C(OC5CCC6(C)C(CCC7(C)C6C=CC6C8CC(C)(C)CCC8(C)C=CC76C)C5(C)CO)OC(C4O)C(O)=O)OC3CO)C(OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O > InChI=1S/C77H124O41/c1-27-39(84)43(88)49(94)64(105-27)104-25-35-42(87)45(90)62(118-68-52(97)47(92)57(33(22-80)108-68)113-66-51(96)46(91)56(32(21-79)107-66)112-65-50(95)44(89)41(86)31(20-78)106-65)71(110-35)114-58-34(23-81)109-67(53(98)48(58)93)117-61-40(85)30(83)24-103-70(61)115-59-54(99)60(63(101)102)116-69(55(59)100)111-38-12-13-74(5)36(75(38,6)26-82)11-14-77(8)37(74)10-9-28-29-19-72(2,3)15-16-73(29,4)17-18-76(28,77)7/h9-10,17-18,27-62,64-71,78-100H,11-16,19-26H2,1-8H3,(H,101,102) > PZPHULADDDWLGC-UHFFFAOYSA-N > C77H124O41 > 1705.7839 > 1704.76180347 > 41 > 171.91226328366872 > 0 > 24 > 0 > 0 > 4-[(3-{[5-({3-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl}oxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl)oxy]-3,5-dihydroxy-6-{[4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,8a,9,10,11,12,12a,12b,14a,14b-octadecahydropicen-3-yl]oxy}oxane-2-carboxylic acid > -0.42 > -6.3650598729999945 > -2.38 > 1 > 13 > -1 > 11.592710712814949 > 3.3483467629006864 > -3.947203754519145 > 650.2700000000004 > 386.73279999999954 > 23 > 0 > 7.16e+00 g/l > 4-[(3-{[5-({3-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl}oxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl)oxy]-3,5-dihydroxy-6-{[4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,9,10,12,12a,12b,14a-dodecahydropicen-3-yl]oxy}oxane-2-carboxylic acid > 0 > Phaseoloside E > 30915-09-4 $$$$