Mrv1533004191522352D 61 69 0 0 0 0 999 V2000 4.3030 -3.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1170 -3.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4082 -2.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2223 -2.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7452 -2.8845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4540 -3.6564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6399 -3.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1155 -2.1473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9311 -2.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6640 -1.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2507 -2.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0743 -2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4446 -1.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2682 -1.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7215 -2.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5451 -2.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9984 -2.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6282 -3.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8046 -3.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3512 -3.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9810 -3.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5276 -3.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1573 -3.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3337 -3.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8804 -3.2101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4351 -3.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0648 -3.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3319 -3.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2076 -4.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8221 -2.9224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1923 -2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7390 -1.4959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1093 -0.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6560 -0.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0263 0.6679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9329 -0.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3032 0.0265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3862 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2098 -1.3521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5801 -0.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1268 0.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4971 0.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0438 1.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3207 0.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6910 1.5969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7740 0.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5976 0.2183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4037 -0.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8570 -1.2562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0159 -2.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4693 -2.8265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0990 -3.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2754 -3.6117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9051 -4.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0815 -4.3969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3584 -5.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9881 -5.7755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1820 -4.9903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6353 -5.6796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5523 -4.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3759 -4.2051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 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 2 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 12 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 11 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 9 27 1 0 0 0 0 27 28 1 0 0 0 0 5 28 1 0 0 0 0 28 29 1 0 0 0 0 17 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 33 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 40 48 1 0 0 0 0 48 49 1 0 0 0 0 38 50 1 0 0 0 0 31 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 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 54 56 1 0 0 0 0 56 57 1 0 0 0 0 56 58 1 0 0 0 0 58 59 1 0 0 0 0 58 60 1 0 0 0 0 52 60 1 0 0 0 0 60 61 1 0 0 0 0 M END > NP0205688 > NP-MRD > CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(OC3OC(C)C(O)C(O)C3O)C2OC2OC(C)C(O)C(O)C2O)OC11CCC(C)CO1 > InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-37(53)35(51)32(48)22(4)56-41)38(33(49)29(17-46)58-42)59-40-36(52)34(50)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3 > LWMZJBVLZFGRJF-UHFFFAOYSA-N > C45H72O16 > 869.055 > 868.482036238 > 16 > 133 > 95.10925272862114 > 0 > 8 > 0 > 0 > 2-{[3-hydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-eneoxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol > 1.55 > 1.7086184503333346 > -3.57 > 1 > 9 > 0 > 12.383840047229558 > 11.89025535230417 > -2.9810909924260995 > 235.67999999999995 > 214.41840000000005 > 7 > 0 > 2.32e-01 g/l > 2-{[3-hydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-eneoxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol > 0 > NP0205688 > 2-{[3-hydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-eneoxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol $$$$