Mrv0541 02241218542D 69 76 0 0 0 0 999 V2000 6.0723 1.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0723 0.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3587 0.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3587 -0.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6438 -1.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9288 -0.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9288 -1.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 -1.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5002 -2.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7867 -1.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7867 -1.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7867 -0.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6024 -3.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -2.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5410 -3.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2715 -2.8784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 -0.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3568 -1.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 -0.7404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3568 -1.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 -2.3903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -1.1529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7867 -0.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7867 0.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5002 0.4970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7867 -3.2153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7867 -2.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5002 -1.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5002 -1.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2152 -0.7404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8229 -3.7968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2152 -2.3903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9287 -1.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9287 -1.1529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6437 -0.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6437 0.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3586 0.4970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3586 1.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6437 1.7343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6437 2.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9287 2.9718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9287 3.7968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6437 -3.2153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6437 -2.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3586 -1.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3586 -1.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0723 -0.7404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6438 1.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6438 0.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9288 0.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 0.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5002 0.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5002 -0.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 -1.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0723 -1.1529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0723 -0.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7873 0.0846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8881 2.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3587 1.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8280 2.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7873 1.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0723 1.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0723 2.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3586 2.9718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3586 3.7968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0723 -2.3903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7873 2.9718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6277 -1.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 60 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 50 1 0 0 0 0 3 57 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 51 1 0 0 0 0 6 55 1 0 0 0 0 8 9 1 0 0 0 0 8 55 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 11 54 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 32 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 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 28 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 30 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 45 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 47 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 39 63 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 41 65 1 0 0 0 0 42 43 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 46 67 1 0 0 0 0 47 48 1 0 0 0 0 49 50 1 0 0 0 0 49 60 1 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 69 1 0 0 0 0 56 57 2 0 0 0 0 57 58 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 68 1 0 0 0 0 65 66 1 0 0 0 0 M END > CHEM032815 > chemdb > CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O)C6O)C(C)(C5CCC34C)C(O)=O)C2C1)C(O)=O > InChI=1S/C48H76O21/c1-43(2)11-13-48(42(62)63)14-12-45(4)20(21(48)15-43)7-8-26-44(3)16-22(51)37(47(6,41(60)61)27(44)9-10-46(26,45)5)69-40-35(59)36(30(54)24(18-50)66-40)68-39-34(58)32(56)29(53)25(67-39)19-64-38-33(57)31(55)28(52)23(17-49)65-38/h7,21-40,49-59H,8-19H2,1-6H3,(H,60,61)(H,62,63) > HIZNXZVTIKIPSM-UHFFFAOYSA-N > C48H76O21 > 989.1044 > 988.487909494 > 21 > 105.03065666949358 > 0 > 13 > 0 > 0 > 3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-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-icosahydropicene-4,8a-dicarboxylic acid > 0.62 > -0.6008845116666646 > -2.84 > 1 > 8 > -2 > 4.83662124428013 > 4.026605728492716 > -3.6552454372455507 > 352.51 > 233.9431000000001 > 11 > 0 > 1.42e+00 g/l > 3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid > 0 > Medicagenic acid 3-O-[b-D-glucosyl-(1->6)-b-D-glucosyl-(1->3)-b-D-glucoside] > 37838-43-0 $$$$