Mrv1533004241517112D 56 63 0 0 0 0 999 V2000 -0.0261 -3.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8497 -3.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3030 -2.8956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1266 -2.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5800 -2.2543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2097 -1.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6630 -0.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4866 -0.8757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2927 -0.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7460 0.5988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4691 -0.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0988 0.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2752 0.7426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0158 -0.7319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3861 -1.4691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9327 -2.1584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1091 -2.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2611 -1.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0848 -1.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5381 -2.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9084 -1.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3617 -1.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 -1.2294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5556 -1.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0089 -1.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -1.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6386 -2.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2253 -3.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9582 -2.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7738 -2.9335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1441 -2.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4353 -1.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2494 -1.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7723 -1.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5863 -1.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1092 -2.4331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4811 -2.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6670 -2.8344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5574 -1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6817 -0.8007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8245 -1.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9488 -1.1795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8150 -2.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4447 -3.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6211 -3.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1678 -2.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3442 -2.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4969 -3.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3205 -3.7287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0436 -4.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4139 -5.1073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -4.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7667 -5.0114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 -5.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6836 -6.4380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9606 -5.7966 0.0000 C 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 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 6 15 1 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 20 21 1 0 0 0 0 20 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 25 26 1 0 0 0 0 25 27 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 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 35 36 1 0 0 0 0 34 37 1 0 0 0 0 37 38 1 0 0 0 0 31 38 1 0 0 0 0 31 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 25 41 1 0 0 0 0 29 41 1 0 0 0 0 41 42 1 0 0 0 0 27 43 1 0 0 0 0 22 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 20 46 1 0 0 0 0 46 47 1 0 0 0 0 17 47 1 0 0 0 0 4 48 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 2 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 54 56 1 0 0 0 0 M END > NP0279712 > NP-MRD > CC1C2(CCC(CO)CO2)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C12O)OC1OC(CO)C(O)C(O)C1OC1OC(C)C(OC(C)=O)C(O)C1O > InChI=1S/C41H64O15/c1-19-34(52-21(3)44)32(47)33(48)36(51-19)55-35-31(46)30(45)28(17-43)54-37(35)53-24-9-11-38(4)23(14-24)6-7-25-26(38)10-12-39(5)27(25)15-29-41(39,49)20(2)40(56-29)13-8-22(16-42)18-50-40/h6,19-20,22,24-37,42-43,45-49H,7-18H2,1-5H3 > YFSZOLDNIMMDBN-UHFFFAOYSA-N > C41H64O15 > 796.948 > 796.424521361 > 14 > 120 > 86.69051180077349 > 0 > 7 > 0 > 0 > 6-{[4,5-dihydroxy-6-(hydroxymethyl)-2-[5-(hydroxymethyl)-7',9',13'-trimethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-8'-oloxy]oxan-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl acetate > 1.33 > 0.814188225999998 > -3.50 > 1 > 8 > 0 > 12.683845590988891 > 12.095483021447233 > -2.6245111543039066 > 223.28999999999996 > 195.46650000000002 > 8 > 0 > 2.50e-01 g/l > 6-{[4,5-dihydroxy-6-(hydroxymethyl)-2-[5-(hydroxymethyl)-7',9',13'-trimethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-8'-oloxy]oxan-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl acetate > 0 > NP0279712 > 6-{[4,5-dihydroxy-6-(hydroxymethyl)-2-[5-(hydroxymethyl)-7',9',13'-trimethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-8'-oloxy]oxan-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl acetate $$$$