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0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0412 -4.4673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7959 -4.0898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6972 -5.6420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0346 -6.3948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8251 6.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1116 6.1080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3961 6.5187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3941 7.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1075 7.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8230 7.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3173 6.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0328 6.5152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3214 7.7545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1055 8.5830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5365 7.7615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6870 4.8793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6891 4.0543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4046 3.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1180 4.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1160 4.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4005 5.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8335 3.6472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8294 5.2972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3984 6.1186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5880 -0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5860 -1.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2994 -2.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0149 -1.7596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0170 -0.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3035 -0.5203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7325 -0.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4459 -0.9381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7284 -2.1738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2974 -2.9953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8705 -2.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.1635 0.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5410 0.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 56 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 25 1 0 0 0 0 18141 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 27 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 35 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 35 36 1 0 0 0 0 35 40 1 0 0 0 0 36 37 1 0 0 0 0 36 44 1 0 0 0 0 37 38 1 0 0 0 0 37 43 1 0 0 0 0 38 39 1 0 0 0 0 38 42 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 41 45 2 0 0 0 0 41 46 1 0 0 0 0 43 47 1 0 0 0 0 44129 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 48 49 1 0 0 0 0 48 55 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 50 51 1 0 0 0 0 50 53 1 0 0 0 0 51 52 1 0 0 0 0 51140 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 57 58 1 0 0 0 0 57 65 1 0 0 0 0 58 59 1 0 0 0 0 58 64 1 0 0 0 0 59 60 1 0 0 0 0 59 63 1 0 0 0 0 60 61 1 0 0 0 0 60 62 1 0 0 0 0 63 76 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 67 68 1 0 0 0 0 67 75 1 0 0 0 0 68 69 1 0 0 0 0 68 74 1 0 0 0 0 69 70 1 0 0 0 0 69 73 1 0 0 0 0 70 71 1 0 0 0 0 70 72 1 0 0 0 0 73120 1 0 0 0 0 74109 1 0 0 0 0 76 77 2 0 0 0 0 76 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 79 85 1 0 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 82 83 1 0 0 0 0 82 87 1 0 0 0 0 83 84 1 0 0 0 0 86 88 1 0 0 0 0 88 89 1 0 0 0 0 88 91 2 0 0 0 0 89 90 1 0 0 0 0 90 92 1 0 0 0 0 90 97 1 0 0 0 0 92 93 1 0 0 0 0 93 94 1 0 0 0 0 93 98 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 95 96 1 0 0 0 0 98100 1 0 0 0 0 100101 1 0 0 0 0 100104 1 0 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 103104 1 0 0 0 0 103106 1 0 0 0 0 104105 1 0 0 0 0 107108 1 0 0 0 0 109110 1 0 0 0 0 109114 1 0 0 0 0 110111 1 0 0 0 0 111112 1 0 0 0 0 111115 1 0 0 0 0 112113 1 0 0 0 0 112117 1 0 0 0 0 113114 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 115116 1 0 0 0 0 120121 1 0 0 0 0 120125 1 0 0 0 0 121122 1 0 0 0 0 122123 1 0 0 0 0 123124 1 0 0 0 0 123126 1 0 0 0 0 124125 1 0 0 0 0 124127 1 0 0 0 0 125128 1 0 0 0 0 129130 1 0 0 0 0 129134 1 0 0 0 0 130131 1 0 0 0 0 130139 1 0 0 0 0 131132 1 0 0 0 0 131138 1 0 0 0 0 132133 1 0 0 0 0 132137 1 0 0 0 0 133134 1 0 0 0 0 133135 1 0 0 0 0 135136 1 0 0 0 0 M END > CHEM022672 > chemdb > CCC(C)C(CC(O)CC(=O)OC(CC(O)CC(=O)OC1C(C)OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OC(C)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC4(C)C2(C)CC3O)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1O)C(C)CC)OC1OC(CO)C(O)C1O > InChI=1S/C94H152O47/c1-14-35(3)45(128-54(103)26-41(100)25-46(36(4)15-2)129-82-65(114)60(109)49(32-97)130-82)24-40(99)27-55(104)134-72-38(6)127-86(77(69(72)118)139-85-71(120)75(137-83-67(116)62(111)58(107)47(30-95)131-83)73(39(7)126-85)135-80-64(113)57(106)44(101)33-124-80)141-88(123)94-23-22-89(8,9)28-43(94)42-16-17-51-90(10)20-19-53(91(11,34-98)50(90)18-21-92(51,12)93(42,13)29-52(94)102)133-87-78(140-84-68(117)63(112)59(108)48(31-96)132-84)74(70(119)76(138-87)79(121)122)136-81-66(115)61(110)56(105)37(5)125-81/h16,34-41,43-53,56-78,80-87,95-97,99-102,105-120H,14-15,17-33H2,1-13H3,(H,121,122) > MBDLUULJCDDOFI-UHFFFAOYSA-N > C94H152O47 > 2034.1845 > 2032.950392098 > 44 > 208.5874774829856 > 0 > 24 > 0 > 0 > 6-{[8a-({[5-({5-[(5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxy-6-methyloctanoyl)oxy]-3-hydroxy-6-methyloctanoyl}oxy)-4-hydroxy-3-[(3-hydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-6-methyloxan-2-yl]oxy}carbonyl)-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid > 0.79 > -3.4668369606666687 > -2.92 > 1 > 13 > -1 > 11.592787827041738 > 3.3198883176572545 > -3.947061848387688 > 737.0100000000004 > 467.3601999999997 > 38 > 0 > 2.47e+00 g/l > 6-{[8a-({[5-({5-[(5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxy-6-methyloctanoyl)oxy]-3-hydroxy-6-methyloctanoyl}oxy)-4-hydroxy-3-[(3-hydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-6-methyloxan-2-yl]oxy}carbonyl)-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid > 0 > Quillaic acid 3-[rhamnosyl-(1->3)-[galactosyl-(1->2)]-glucuronide] 28-[glucosyl-(1->3)-[xylosyl-(1->4)]-rhamnosyl-(1->2)-4-[5-[[5-(arabinosyloxy)-3-hydroxy-6-methyl-1-oxooctyl]oxy]-3-hydroxy-6-methyl-1-oxooctyl]-fucosyl] ester > 263259-76-3 $$$$