Mrv0541 05061309012D 110121 0 0 0 0 999 V2000 2.3921 3.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3921 2.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6776 1.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9632 2.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9632 3.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2487 0.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2487 0.9402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9632 0.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6776 0.9402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0132 0.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3921 1.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1066 1.7652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2487 1.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4658 2.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1802 1.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1802 0.9402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4658 0.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8947 1.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8947 0.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6092 0.9402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3237 0.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3237 -0.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0381 -0.7098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4658 -0.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1802 -0.7098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8947 -0.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6092 -0.7098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9965 -1.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2219 -1.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6590 -2.1379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0650 4.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6776 3.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2903 4.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7526 -0.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4671 -0.7098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1815 -0.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1815 0.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4671 0.9402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7526 0.5277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4671 1.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8960 0.9402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8960 -0.7098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4671 -1.5348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7526 2.1777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1815 2.1777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8211 1.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5355 1.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 1.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 0.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5355 0.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8211 0.5277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5355 -0.7098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9645 0.1152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9645 1.7652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5355 2.5902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 3.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 3.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9645 4.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6789 3.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6789 3.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9645 2.5902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4523 3.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3934 4.2402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9645 5.0652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5355 4.2402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3934 5.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6789 5.4777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6789 6.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3934 6.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1079 6.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1079 5.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3934 7.5402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8224 6.7152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8224 5.0652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1815 -1.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1815 -2.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8960 -3.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6105 -2.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6105 -1.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8960 -1.5348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3249 -1.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0394 -1.9473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3249 -3.1848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8960 -4.0098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4671 -3.1848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3921 0.5277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9645 -0.7098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -1.1223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6789 -1.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6789 1.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6789 0.5277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3934 0.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1079 0.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1079 1.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3934 1.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3934 -0.7098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8224 0.1152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8224 1.7652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3934 2.5902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6105 -0.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3249 -0.7098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0394 -0.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0394 0.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3249 0.9402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6105 0.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7539 -0.7098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7539 0.9402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3249 1.7652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2749 1.2814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1302 -0.2260 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 17110 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 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 102106 1 0 0 0 0 103104 1 0 0 0 0 103107 1 0 0 0 0 104105 1 0 0 0 0 104108 1 0 0 0 0 105109 1 0 0 0 0 M END > CHEM022678 > chemdb > CC1OC(OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(O)CC54C)C(=O)OC4OC(C)C(OC(C)=O)C(OC5OC(C)C(O)C(O)C5O)C4OC4OC(C)C(OC5OCC(O)C(O)C5O)C(O)C4O)C3(C)C=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O > InChI=1S/C73H114O37/c1-25-38(79)42(83)47(88)61(97-25)105-54-51(92)55(59(93)94)106-66(57(54)108-64-49(90)44(85)41(82)33(22-74)102-64)103-37-15-16-69(8)34(70(37,9)24-75)14-17-71(10)35(69)13-12-30-31-20-68(6,7)18-19-73(31,36(78)21-72(30,71)11)67(95)110-65-58(56(53(28(4)100-65)101-29(5)76)107-62-48(89)43(84)39(80)26(2)98-62)109-63-50(91)45(86)52(27(3)99-63)104-60-46(87)40(81)32(77)23-96-60/h12,24-28,31-58,60-66,74,77-92H,13-23H2,1-11H3,(H,93,94) > AOFARUOREYHOHG-UHFFFAOYSA-N > C73H114O37 > 1583.6641 > 1582.703894662 > 35 > 159.76752513399305 > 0 > 18 > 0 > 0 > 6-{[8a-({[5-(acetyloxy)-3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-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-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid > 0.43 > -2.916608497333334 > -2.74 > 1 > 12 > -1 > 11.659763705682687 > 3.319888317927252 > -3.7391452276049515 > 570.8700000000001 > 359.72439999999983 > 20 > 0 > 2.86e+00 g/l > 6-{[8a-({[5-(acetyloxy)-3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-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-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid > 0 > Quillaic acid 3-[galactosyl-(1->2)-[rhamnosyl-(1->3)]-glucuronide] 28-[xylosyl-(1->4)-rhamnosyl-(1->2)-[rhamnosyl-(1->3)]-4acetyl-fucosyl] ester > 287386-82-7 $$$$