Mrv0541 05061309272D 112123 0 0 0 0 999 V2000 10.7710 2.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7703 -0.7619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5437 -1.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3821 3.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4427 3.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1558 -1.3939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7763 1.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4835 0.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 2.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0545 1.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0545 -0.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0889 0.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6255 0.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7689 -0.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6269 2.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6269 2.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1979 2.9507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1979 0.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0571 5.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 -2.9468 -1.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4848 2.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0558 1.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5179 -0.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6269 1.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9124 3.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 0.4756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6256 -0.7619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 0.4756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4835 0.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9124 1.7131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7716 5.4255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3426 -1.1745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9468 -4.4744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3774 -2.1691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9137 -1.1744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5191 0.8881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2480 0.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6282 4.1880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5192 -0.7619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0572 6.6630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0571 0.0630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0902 -3.2369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6282 7.4880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0571 1.7130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0902 -1.5869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5752 -1.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1993 6.6631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6282 2.5380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1462 -0.9194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6613 0.8881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7703 4.1881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9468 2.1257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5179 2.1256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6269 0.4756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3757 0.4756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1992 2.5381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0558 0.4756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1992 0.0631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6282 5.0130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9137 0.4756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9468 -2.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8034 -0.7619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1993 5.0131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6612 -0.7619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5178 0.4756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1992 1.7131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2323 -1.5869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7703 2.5381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3413 1.7131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11 10 1 0 0 0 0 14 13 1 0 0 0 0 15 12 1 0 0 0 0 17 16 1 0 0 0 0 25 1 1 0 0 0 0 26 2 1 0 0 0 0 27 3 1 0 0 0 0 28 10 2 0 0 0 0 29 18 1 0 0 0 0 29 28 1 0 0 0 0 30 23 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 12 1 0 0 0 0 35 11 1 0 0 0 0 36 19 1 0 0 0 0 37 13 1 0 0 0 0 38 25 1 0 0 0 0 39 30 1 0 0 0 0 40 31 1 0 0 0 0 41 32 1 0 0 0 0 42 33 1 0 0 0 0 43 40 1 0 0 0 0 44 41 1 0 0 0 0 45 42 1 0 0 0 0 46 39 1 0 0 0 0 47 43 1 0 0 0 0 48 44 1 0 0 0 0 49 45 1 0 0 0 0 52 26 1 0 0 0 0 53 38 1 0 0 0 0 53 51 1 0 0 0 0 54 50 1 0 0 0 0 55 50 1 0 0 0 0 56 52 1 0 0 0 0 57 54 1 0 0 0 0 58 56 1 0 0 0 0 59 55 1 0 0 0 0 60 46 1 0 0 0 0 61 47 1 0 0 0 0 62 48 1 0 0 0 0 63 49 1 0 0 0 0 64 51 1 0 0 0 0 65 58 1 0 0 0 0 66 57 1 0 0 0 0 68 4 1 0 0 0 0 68 5 1 0 0 0 0 68 16 1 0 0 0 0 68 18 1 0 0 0 0 69 6 1 0 0 0 0 69 14 1 0 0 0 0 69 34 1 0 0 0 0 69 35 1 0 0 0 0 70 7 1 0 0 0 0 70 24 1 0 0 0 0 70 34 1 0 0 0 0 70 37 1 0 0 0 0 71 8 1 0 0 0 0 71 15 1 0 0 0 0 71 35 1 0 0 0 0 72 9 1 0 0 0 0 72 19 1 0 0 0 0 72 28 1 0 0 0 0 72 71 1 0 0 0 0 73 17 1 0 0 0 0 73 29 1 0 0 0 0 73 36 1 0 0 0 0 73 67 1 0 0 0 0 74 20 1 0 0 0 0 75 21 1 0 0 0 0 76 22 1 0 0 0 0 77 24 2 0 0 0 0 78 27 2 0 0 0 0 79 30 1 0 0 0 0 80 36 1 0 0 0 0 81 38 1 0 0 0 0 82 39 1 0 0 0 0 83 40 1 0 0 0 0 84 41 1 0 0 0 0 85 42 1 0 0 0 0 86 43 1 0 0 0 0 87 44 1 0 0 0 0 88 45 1 0 0 0 0 89 46 1 0 0 0 0 90 47 1 0 0 0 0 91 48 1 0 0 0 0 92 49 1 0 0 0 0 93 50 1 0 0 0 0 94 51 1 0 0 0 0 95 59 2 0 0 0 0 96 59 1 0 0 0 0 97 67 2 0 0 0 0 98 23 1 0 0 0 0 98 60 1 0 0 0 0 99 25 1 0 0 0 0 99 64 1 0 0 0 0 100 26 1 0 0 0 0 100 65 1 0 0 0 0 101 27 1 0 0 0 0 101 52 1 0 0 0 0 102 31 1 0 0 0 0 102 61 1 0 0 0 0 103 32 1 0 0 0 0 103 62 1 0 0 0 0 104 33 1 0 0 0 0 104 63 1 0 0 0 0 105 37 1 0 0 0 0 105 66 1 0 0 0 0 106 53 1 0 0 0 0 106 61 1 0 0 0 0 107 54 1 0 0 0 0 107 60 1 0 0 0 0 108 55 1 0 0 0 0 108 66 1 0 0 0 0 109 56 1 0 0 0 0 109 62 1 0 0 0 0 110 57 1 0 0 0 0 110 63 1 0 0 0 0 111 58 1 0 0 0 0 111 64 1 0 0 0 0 112 65 1 0 0 0 0 112 67 1 0 0 0 0 M END > CHEM022690 > chemdb > CC1OC(OC2C(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)OC(C)C(OC(C)=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O > InChI=1S/C73H114O39/c1-25-38(81)53(106-61-47(90)43(86)40(83)31(20-74)102-61)51(94)64(99-25)111-58-56(109-62-48(91)44(87)41(84)32(21-75)103-62)52(101-27(3)78)26(2)100-65(58)112-67(97)73-17-16-68(4,5)18-29(73)28-10-11-35-69(6)14-13-37(70(7,24-77)34(69)12-15-71(35,8)72(28,9)19-36(73)80)105-66-57(110-63-49(92)45(88)42(85)33(22-76)104-63)54(50(93)55(108-66)59(95)96)107-60-46(89)39(82)30(79)23-98-60/h10,24-26,29-58,60-66,74-76,79-94H,11-23H2,1-9H3,(H,95,96) > XLVVYEHHDGBXOQ-UHFFFAOYSA-N > C73H114O39 > 1615.6629 > 1614.693723906 > 37 > 161.62675771464234 > 0 > 20 > 0 > 0 > 6-{[8a-({[5-(acetyloxy)-3-[(3,5-dihydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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 > 0.09 > -5.010428430666666 > -2.34 > 1 > 12 > -1 > 11.656685448174228 > 3.281826181591008 > -3.739145097769568 > 611.3300000000004 > 362.81179999999955 > 22 > 0 > 7.43e+00 g/l > 6-{[8a-({[5-(acetyloxy)-3-[(3,5-dihydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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-[glucosyl-(1->3)-[glucosyl-(1->3)-rhamnosyl-(1->2)]-4-acetyl-fucosyl] ester > 299184-65-9 $$$$