Mrv1533004171517152D 61 68 0 0 0 0 999 V2000 9.9799 1.9145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4481 2.5452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6360 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3557 1.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8875 0.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5435 1.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2632 0.7029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4511 0.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1708 -0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3587 -0.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8269 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5466 -0.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0784 -1.1393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1072 1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5754 1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7633 1.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4830 0.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0148 0.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7345 -0.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9224 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3905 -0.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0307 -0.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3367 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0195 1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6708 0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8685 1.4085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0596 -0.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2889 -1.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6061 -2.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5793 -2.8729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0452 -1.5420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2351 -0.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9193 1.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0117 2.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2920 2.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7602 3.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1041 3.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3844 3.8066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1966 3.9518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7284 3.3211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5405 3.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0723 2.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7920 2.0597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3238 1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1360 1.5742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6678 0.9435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4799 1.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0117 0.4580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3875 0.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9193 -0.4631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5754 0.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2951 -0.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0435 0.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2314 0.5079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8208 4.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6329 4.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2890 4.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5693 5.6489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4769 4.7278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9450 5.3585 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 4 6 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 11 12 1 0 0 0 0 12 13 2 0 0 0 0 11 14 1 0 0 0 0 14 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 11 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 21 22 1 0 0 0 0 21 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 17 26 1 0 0 0 0 21 26 1 0 0 0 0 26 27 1 0 0 0 0 23 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 28 33 1 0 0 0 0 14 34 1 0 0 0 0 8 34 1 0 0 0 0 6 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 3 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 43 44 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 47 50 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 45 54 1 0 0 0 0 54 55 1 0 0 0 0 42 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 40 60 1 0 0 0 0 60 61 1 0 0 0 0 M END > NP0163647 > NP-MRD > COC1C(O)C(OC2CCC3(C=O)C(CCC4C3CCC3(C)C(CCC43O)C3=CC(=O)OC3)C2)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O > InChI=1S/C42H64O19/c1-18-35(61-38-33(51)31(49)29(47)26(60-38)16-56-37-32(50)30(48)28(46)25(14-43)59-37)36(54-3)34(52)39(57-18)58-21-6-10-41(17-44)20(13-21)4-5-24-23(41)7-9-40(2)22(8-11-42(24,40)53)19-12-27(45)55-15-19/h12,17-18,20-26,28-39,43,46-53H,4-11,13-16H2,1-3H3 > WPNLWBRKPZXVGD-UHFFFAOYSA-N > C42H64O19 > 872.955 > 872.404179841 > 18 > 125 > 90.46752692295345 > 0 > 9 > 0 > 0 > 11-hydroxy-5-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-15-methyl-14-(5-oxo-2,5-dihydrofuran-3-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-2-carbaldehyde > -0.57 > -1.5220395329999992 > -3.02 > 1 > 8 > 0 > 11.780294948197588 > 7.182625158507416 > -3.6483773177512537 > 290.04999999999995 > 204.87980000000002 > 11 > 0 > 8.36e-01 g/l > 11-hydroxy-5-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-15-methyl-14-(5-oxo-2H-furan-3-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-2-carbaldehyde > 0 > NP0163647 > 3a-hydroxy-7-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-11a-methyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthrene-9a-carbaldehyde $$$$