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0 0 0 0 10.7816 -1.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3513 7.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0802 -0.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3513 4.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9224 3.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6513 1.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3526 6.8859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4934 3.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 5.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7934 2.3484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5078 1.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3644 2.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6499 2.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7651 8.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 3.5858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 6.0609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0802 -2.6016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2433 -1.9265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7560 -0.2964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1241 7.7138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7803 0.6983 0.0000 O 0 0 0 0 0 0 0 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0 0 0 0 0 0 -7.0802 3.9984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6512 3.9984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4935 2.3484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6789 8.9759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5091 2.3484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2092 4.8234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6852 7.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0658 4.4109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9224 2.3484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9237 -0.5391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0671 -1.7766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5352 -1.6997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6369 6.8859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0802 -0.9517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9368 1.1109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0658 1.9359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4947 6.0609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3527 6.0609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7946 1.1108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0658 6.8859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6512 2.3483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6369 4.4109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3657 0.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 3.5859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13 1 1 0 0 0 0 14 2 1 0 0 0 0 16 15 1 0 0 0 0 19 18 1 0 0 0 0 20 17 1 0 0 0 0 22 21 1 0 0 0 0 37 3 1 0 0 0 0 37 13 1 0 0 0 0 38 4 1 0 0 0 0 38 14 1 0 0 0 0 39 5 1 0 0 0 0 40 6 1 0 0 0 0 41 23 1 0 0 0 0 41 26 1 0 0 0 0 42 24 1 0 0 0 0 42 25 1 0 0 0 0 43 15 2 0 0 0 0 44 27 1 0 0 0 0 44 43 1 0 0 0 0 45 32 1 0 0 0 0 46 33 1 0 0 0 0 47 23 1 0 0 0 0 47 37 1 0 0 0 0 48 24 1 0 0 0 0 48 38 1 0 0 0 0 49 29 1 0 0 0 0 50 30 1 0 0 0 0 51 31 1 0 0 0 0 52 17 1 0 0 0 0 53 16 1 0 0 0 0 54 28 1 0 0 0 0 55 18 1 0 0 0 0 56 25 1 0 0 0 0 57 26 1 0 0 0 0 58 45 1 0 0 0 0 59 49 1 0 0 0 0 60 50 1 0 0 0 0 61 51 1 0 0 0 0 62 59 1 0 0 0 0 63 60 1 0 0 0 0 64 58 1 0 0 0 0 65 61 1 0 0 0 0 66 62 1 0 0 0 0 67 63 1 0 0 0 0 72 39 1 0 0 0 0 72 68 1 0 0 0 0 73 40 1 0 0 0 0 74 46 1 0 0 0 0 74 70 1 0 0 0 0 75 69 1 0 0 0 0 76 71 1 0 0 0 0 76 73 1 0 0 0 0 77 69 1 0 0 0 0 78 68 1 0 0 0 0 79 75 1 0 0 0 0 81 77 1 0 0 0 0 82 64 1 0 0 0 0 83 70 1 0 0 0 0 84 65 1 0 0 0 0 85 66 1 0 0 0 0 86 67 1 0 0 0 0 87 71 1 0 0 0 0 88 78 1 0 0 0 0 89 79 1 0 0 0 0 90 80 1 0 0 0 0 92 7 1 0 0 0 0 92 8 1 0 0 0 0 92 21 1 0 0 0 0 92 27 1 0 0 0 0 93 9 1 0 0 0 0 93 19 1 0 0 0 0 93 52 1 0 0 0 0 93 53 1 0 0 0 0 94 10 1 0 0 0 0 94 34 1 0 0 0 0 94 52 1 0 0 0 0 94 55 1 0 0 0 0 95 11 1 0 0 0 0 95 20 1 0 0 0 0 95 53 1 0 0 0 0 96 12 1 0 0 0 0 96 28 1 0 0 0 0 96 43 1 0 0 0 0 96 95 1 0 0 0 0 97 35 1 0 0 0 0 97 36 1 0 0 0 0 97 80 1 0 0 0 0 98 22 1 0 0 0 0 98 44 1 0 0 0 0 98 54 1 0 0 0 0 98 91 1 0 0 0 0 99 29 1 0 0 0 0 100 30 1 0 0 0 0 101 31 1 0 0 0 0 102 34 2 0 0 0 0 103 35 1 0 0 0 0 104 41 1 0 0 0 0 105 42 1 0 0 0 0 106 45 1 0 0 0 0 107 46 1 0 0 0 0 108 54 1 0 0 0 0 109 56 2 0 0 0 0 110 57 2 0 0 0 0 111 58 1 0 0 0 0 112 59 1 0 0 0 0 113 60 1 0 0 0 0 114 61 1 0 0 0 0 115 62 1 0 0 0 0 116 63 1 0 0 0 0 117 64 1 0 0 0 0 118 65 1 0 0 0 0 119 66 1 0 0 0 0 120 67 1 0 0 0 0 121 68 1 0 0 0 0 122 69 1 0 0 0 0 123 70 1 0 0 0 0 124 71 1 0 0 0 0 125 80 1 0 0 0 0 126 81 2 0 0 0 0 127 81 1 0 0 0 0 128 91 2 0 0 0 0 129 97 1 0 0 0 0 130 32 1 0 0 0 0 130 82 1 0 0 0 0 131 33 1 0 0 0 0 131 83 1 0 0 0 0 132 36 1 0 0 0 0 132 90 1 0 0 0 0 133 40 1 0 0 0 0 133 87 1 0 0 0 0 134 39 1 0 0 0 0 134 88 1 0 0 0 0 135 47 1 0 0 0 0 135 56 1 0 0 0 0 136 48 1 0 0 0 0 136 84 1 0 0 0 0 137 51 1 0 0 0 0 137 84 1 0 0 0 0 138 49 1 0 0 0 0 138 85 1 0 0 0 0 139 50 1 0 0 0 0 139 86 1 0 0 0 0 140 55 1 0 0 0 0 140 89 1 0 0 0 0 141 57 1 0 0 0 0 141 72 1 0 0 0 0 142 73 1 0 0 0 0 142 83 1 0 0 0 0 143 74 1 0 0 0 0 143 90 1 0 0 0 0 144 75 1 0 0 0 0 144 82 1 0 0 0 0 145 76 1 0 0 0 0 145 85 1 0 0 0 0 146 77 1 0 0 0 0 146 89 1 0 0 0 0 147 78 1 0 0 0 0 147 87 1 0 0 0 0 148 79 1 0 0 0 0 148 86 1 0 0 0 0 149 88 1 0 0 0 0 149 91 1 0 0 0 0 M END > CHEM027756 > 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(OC7OCC(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(OC4OCC(O)(CO)C4O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1O)C(C)CC)OC1OC(CO)C(O)C1O > InChI=1S/C98H158O51/c1-13-37(3)47(135-56(109)25-42(105)24-48(38(4)14-2)136-84-65(118)61(114)51(31-101)137-84)23-41(104)26-57(110)141-72-39(5)134-88(78(68(72)121)147-87-71(124)76(145-85-66(119)62(115)59(112)49(29-99)138-85)73(40(6)133-87)142-83-70(123)74(46(107)33-131-83)143-90-80(125)97(129,35-103)36-132-90)149-91(128)98-22-21-92(7,8)27-44(98)43-15-16-53-93(9)19-18-55(94(10,34-102)52(93)17-20-95(53,11)96(43,12)28-54(98)108)140-89-79(148-86-67(120)63(116)60(113)50(30-100)139-86)75(69(122)77(146-89)81(126)127)144-82-64(117)58(111)45(106)32-130-82/h15,34,37-42,44-55,58-80,82-90,99-101,103-108,111-125,129H,13-14,16-33,35-36H2,1-12H3,(H,126,127) > QSLOMCJHFMYZKQ-UHFFFAOYSA-N > C98H158O51 > 2152.2725 > 2150.977000778 > 48 > 219.62481521649647 > 0 > 26 > 0 > 0 > 6-{[8a-({[3-({5-[(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl)oxy]-3-hydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl}oxy)-5-({5-[(5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxy-6-methyloctanoyl)oxy]-3-hydroxy-6-methyloctanoyl}oxy)-4-hydroxy-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-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid > 0.69 > -5.159911045333331 > -2.67 > 1 > 14 > -1 > 11.511766298695832 > 3.281826180921316 > -3.9476948998377486 > 795.9300000000006 > 489.61159999999944 > 41 > 0 > 4.58e+00 g/l > 6-{[8a-({[3-({5-[(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl)oxy]-3-hydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl}oxy)-5-({5-[(5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxy-6-methyloctanoyl)oxy]-3-hydroxy-6-methyloctanoyl}oxy)-4-hydroxy-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-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid > 0 > QS 18 > 175295-49-5 $$$$