Mrv0541 05061309022D 118130 0 0 0 0 999 V2000 2.7899 6.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7885 5.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0749 4.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3612 5.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3598 6.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6462 3.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6462 3.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3598 3.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0749 3.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4104 3.2332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7892 4.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5038 4.8126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6462 4.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0688 5.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7838 4.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7838 3.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0688 3.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4974 4.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4988 3.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2124 3.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9274 3.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9261 2.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6411 2.3368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0688 2.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7838 2.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4988 2.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2124 2.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6816 1.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7432 1.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4599 0.9290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6070 7.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0763 6.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5455 7.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3561 2.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3547 3.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0697 3.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7847 3.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8040 2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0697 2.3368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5726 2.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4941 3.9954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 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7.2856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3633 8.1113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9340 7.2870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7922 8.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0779 8.5234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0783 9.3484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7930 9.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5073 9.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5069 8.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7934 10.5856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2219 9.7599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2212 8.1099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6411 4.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9274 5.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9261 6.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6411 6.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3561 6.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3561 5.2244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0697 6.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0697 7.2870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6411 7.2870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2124 6.4620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2124 4.8119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7888 3.5755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3606 2.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0748 1.9234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6754 1.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0760 4.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0756 3.5734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7899 3.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5046 3.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5049 4.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7907 4.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7895 2.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2188 3.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2196 4.8099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7911 5.6356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7842 5.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4986 4.8119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2131 5.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2131 6.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4986 6.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7842 6.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9276 6.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4986 7.2869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5959 6.8325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2223 10.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5551 11.0702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8104 11.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6354 11.8543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8900 11.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6745 10.8142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7306 12.6738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3857 12.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4637 13.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0687 4.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 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 11 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 86 2 0 0 0 0 12 46 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 24 1 0 0 0 0 17118 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 26 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 34 1 0 0 0 0 24 25 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 27 29 1 0 0 0 0 29 30 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 34 39 1 0 0 0 0 35 36 1 0 0 0 0 35 43 1 0 0 0 0 36 37 1 0 0 0 0 36 42 1 0 0 0 0 37 38 1 0 0 0 0 37 41 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 40 44 2 0 0 0 0 40 45 1 0 0 0 0 42100 1 0 0 0 0 43 75 1 0 0 0 0 46 47 1 0 0 0 0 46 51 1 0 0 0 0 47 48 1 0 0 0 0 47 55 1 0 0 0 0 48 49 1 0 0 0 0 48 54 1 0 0 0 0 49 50 1 0 0 0 0 49 53 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 53 87 1 0 0 0 0 54 90 1 0 0 0 0 55 56 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 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 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 72 1 0 0 0 0 70 71 1 0 0 0 0 70 73 1 0 0 0 0 71 74 1 0 0 0 0 73109 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 76 77 1 0 0 0 0 76 85 1 0 0 0 0 77 78 1 0 0 0 0 77 84 1 0 0 0 0 78 79 1 0 0 0 0 78 83 1 0 0 0 0 79 80 1 0 0 0 0 79 81 1 0 0 0 0 81 82 1 0 0 0 0 87 88 2 0 0 0 0 87 89 1 0 0 0 0 90 91 1 0 0 0 0 90 95 1 0 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 96 1 0 0 0 0 93 94 1 0 0 0 0 93 97 1 0 0 0 0 94 95 1 0 0 0 0 94 98 1 0 0 0 0 95 99 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 103106 1 0 0 0 0 104105 1 0 0 0 0 104107 1 0 0 0 0 105108 1 0 0 0 0 109110 1 0 0 0 0 109113 1 0 0 0 0 110111 1 0 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112115 1 0 0 0 0 112116 1 0 0 0 0 113114 1 0 0 0 0 116117 1 0 0 0 0 M END > CHEM022681 > chemdb > CC1OC(OC2C(OC(C)=O)C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)=O)C(C)(C=O)C6CCC5(C)C3(C)CC4O)C2OC2OC(C)C(OC3OCC(O)C(OC4OCC(O)(CO)C4O)C3O)C(O)C2O)C(O)C(O)C1O > InChI=1S/C77H120O41/c1-27-40(85)43(88)47(92)64(105-27)115-57-53(108-30(4)81)29(3)107-67(59(57)117-65-49(94)45(90)52(28(2)106-65)111-63-51(96)54(34(83)23-103-63)112-69-60(97)76(101,25-80)26-104-69)118-70(100)77-18-17-71(5,6)19-32(77)31-11-12-37-72(7)15-14-39(73(8,24-79)36(72)13-16-74(37,9)75(31,10)20-38(77)84)110-68-58(116-66-48(93)44(89)42(87)35(21-78)109-66)55(50(95)56(114-68)61(98)99)113-62-46(91)41(86)33(82)22-102-62/h11,24,27-29,32-60,62-69,78,80,82-97,101H,12-23,25-26H2,1-10H3,(H,98,99) > YTBXKIYTVBAGKK-UHFFFAOYSA-N > C77H120O41 > 1701.7521 > 1700.730503342 > 39 > 170.78058215110548 > 0 > 20 > 0 > 0 > 6-{[8a-({[5-(acetyloxy)-3-({5-[(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl)oxy]-3,4-dihydroxy-6-methyloxan-2-yl}oxy)-6-methyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-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 > 0.29 > -4.609682582000003 > -2.55 > 1 > 13 > -1 > 11.514018627002256 > 3.2818261809345457 > -3.9475495619043306 > 629.7900000000002 > 381.97579999999977 > 23 > 0 > 4.84e+00 g/l > 6-{[8a-({[5-(acetyloxy)-3-({5-[(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl)oxy]-3,4-dihydroxy-6-methyloxan-2-yl}oxy)-6-methyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-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 > Quillaic acid 3-[galactosyl-(1->2)-[xylosyl-(1->3)]-glucuronide] 28-[apiosyl-(1->3)-xylosyl-(1->4)-rhamnosyl-(1->2)-[rhamnosyl-(1->3)]-4-acetyl-fucosyl] ester > 287386-85-0 $$$$