Mrv0541 05061307152D 60 66 0 0 0 0 999 V2000 9.2327 3.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9182 5.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4539 3.7209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0631 2.8837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0937 0.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6377 -1.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2983 -0.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5890 -0.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8184 3.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0635 4.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 2.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5582 2.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4303 0.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7850 0.9922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7761 1.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9571 -4.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8489 1.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0498 3.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6730 4.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0135 3.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2616 1.6656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9884 1.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2296 -3.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2880 0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8694 -0.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4406 -0.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1396 1.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7684 2.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3822 0.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0403 -3.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5945 1.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3127 -2.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4129 1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7745 -2.3241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0191 2.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9639 -2.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6982 -1.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9870 2.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9973 1.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1601 -0.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5685 1.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8683 4.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8591 0.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9576 0.3110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4953 -5.2855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0865 1.6759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7313 -0.4658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1294 2.0267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5638 -0.0035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5784 -4.3534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9884 0.4868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1233 -2.7959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6252 2.0963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0470 -1.5453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5089 -0.9201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6867 5.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 3.2156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8068 2.1657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6915 -3.2561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4258 -1.8521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8 7 1 0 0 0 0 10 9 1 0 0 0 0 12 11 1 0 0 0 0 19 1 1 0 0 0 0 19 2 1 0 0 0 0 20 3 1 0 0 0 0 20 9 1 0 0 0 0 21 14 1 0 0 0 0 22 15 1 0 0 0 0 23 16 1 0 0 0 0 24 7 1 0 0 0 0 25 8 1 0 0 0 0 26 13 1 0 0 0 0 27 13 1 0 0 0 0 28 20 1 0 0 0 0 28 21 1 0 0 0 0 29 22 1 0 0 0 0 30 23 1 0 0 0 0 31 29 1 0 0 0 0 32 30 1 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 38 4 1 0 0 0 0 38 11 1 0 0 0 0 38 28 1 0 0 0 0 39 5 1 0 0 0 0 39 14 1 0 0 0 0 39 24 1 0 0 0 0 39 38 1 0 0 0 0 40 6 1 0 0 0 0 40 25 1 0 0 0 0 40 26 1 0 0 0 0 40 37 1 0 0 0 0 41 12 1 0 0 0 0 41 17 1 0 0 0 0 41 24 1 0 0 0 0 42 10 1 0 0 0 0 42 18 1 0 0 0 0 42 19 1 0 0 0 0 43 17 1 0 0 0 0 43 25 1 0 0 0 0 43 27 1 0 0 0 0 43 41 1 0 0 0 0 44 15 1 0 0 0 0 45 16 1 0 0 0 0 46 21 1 0 0 0 0 47 26 1 0 0 0 0 48 27 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 32 1 0 0 0 0 53 33 1 0 0 0 0 54 34 1 0 0 0 0 55 37 2 0 0 0 0 56 42 1 0 0 0 0 57 18 1 0 0 0 0 57 35 1 0 0 0 0 58 22 1 0 0 0 0 58 35 1 0 0 0 0 59 23 1 0 0 0 0 59 36 1 0 0 0 0 60 36 1 0 0 0 0 60 37 1 0 0 0 0 M END > NP0263420 > NP-MRD > CC(C)C(O)(CCC(C)C1C(O)CC2(C)C3CCC4C5(CC35CCC12C)C(O)CC(O)C4(C)C(=O)OC1OC(CO)C(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O > InChI=1S/C43H72O17/c1-19(2)42(56,18-57-35-33(53)31(51)29(49)22(15-44)58-35)10-9-20(3)28-21(46)14-39(5)24-7-8-25-40(6,37(55)60-36-34(54)32(52)30(50)23(16-45)59-36)26(47)13-27(48)43(25)17-41(24,43)12-11-38(28,39)4/h19-36,44-54,56H,7-18H2,1-6H3 > JRBZRACFBGYSHE-UHFFFAOYSA-N > C43H72O17 > 861.0216 > 860.476950878 > 16 > 93.99722723239458 > 0 > 12 > 0 > 0 > 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4,6,14-trihydroxy-15-[5-hydroxy-6-methyl-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)heptan-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylate > -0.40 > -1.581437244666663 > -2.89 > 1 > 7 > 0 > 12.4127720327781 > 11.897354947669003 > -3.0745761337603374 > 296.75000000000006 > 208.58370000000005 > 13 > 0 > 1.11e+00 g/l > 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4,6,14-trihydroxy-15-[5-hydroxy-6-methyl-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)heptan-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylate > 0 > NP0263420 > 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4,6,14-trihydroxy-15-[5-hydroxy-6-methyl-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)heptan-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylate $$$$