Mrv0541 02241209262D 61 69 0 0 0 0 999 V2000 0.8295 1.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8295 0.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1161 1.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5987 0.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5987 -0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1161 -0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8295 -0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5444 -0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 -0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 0.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5444 1.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5444 1.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 2.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9729 1.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0595 2.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3136 -0.6488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9729 1.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7578 0.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2418 1.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0268 1.6689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0268 2.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7801 2.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4483 2.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3617 3.4630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0285 3.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7578 2.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2418 2.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9874 3.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6083 3.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9402 3.3132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0271 -0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0271 0.5883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7419 1.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4554 0.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4554 -0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7419 -0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7419 -1.4738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1704 -0.6488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1704 1.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7419 1.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4554 2.2380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0271 -1.8861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8852 -0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0271 -2.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3136 -3.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5987 -2.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5987 -1.8861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3136 -1.4738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5987 -0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3136 -0.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3136 0.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5987 1.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8852 0.5883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5987 -1.4738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0285 -0.6488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0285 1.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7419 -3.1235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3136 -3.9484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1161 -3.1235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1161 -1.4738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8295 -1.8861 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 2 7 1 0 0 0 0 2 11 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 5 16 1 0 0 0 0 6 7 1 0 0 0 0 7 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 10 17 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 1 0 0 0 0 14 17 1 0 0 0 0 14 26 1 0 0 0 0 16 31 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 19 26 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 27 1 0 0 0 0 21 30 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 24 29 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 29 30 1 0 0 0 0 31 32 1 0 0 0 0 31 36 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 40 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 38 1 0 0 0 0 36 37 1 0 0 0 0 37 42 1 0 0 0 0 38 43 1 0 0 0 0 40 41 1 0 0 0 0 42 44 1 0 0 0 0 42 48 1 0 0 0 0 43 49 1 0 0 0 0 43 53 1 0 0 0 0 44 45 1 0 0 0 0 44 57 1 0 0 0 0 45 46 1 0 0 0 0 45 58 1 0 0 0 0 46 47 1 0 0 0 0 46 59 1 0 0 0 0 47 48 1 0 0 0 0 47 60 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 50 51 1 0 0 0 0 50 55 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 52 53 1 0 0 0 0 60 61 1 0 0 0 0 M END > NP0276641 > NP-MRD > CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1 > InChI=1S/C44H72O17/c1-19-7-12-44(55-17-19)20(2)30-27(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)56-41-38(60-40-36(53)34(51)32(49)28(15-45)57-40)37(33(50)29(16-46)58-41)59-39-35(52)31(48)26(47)18-54-39/h19-41,45-53H,5-18H2,1-4H3 > ZAZNQYAHJWQLHA-UHFFFAOYSA-N > C44H72O17 > 873.0323 > 872.476950878 > 17 > 94.7835517477161 > 0 > 9 > 0 > 0 > 2-{[5-hydroxy-6-(hydroxymethyl)-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0.35 > 0.6507129403333375 > -3.33 > 1 > 9 > 0 > 12.390489920643184 > 11.894560954180845 > -2.9810909910944696 > 255.90999999999997 > 210.69330000000005 > 8 > 0 > 4.06e-01 g/l > 2-{[5-hydroxy-6-(hydroxymethyl)-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > NP0276641 > 2-{[5-hydroxy-6-(hydroxymethyl)-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol $$$$