Mrv1533004181500512D 58 65 0 0 0 0 999 V2000 5.5779 -3.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0082 -2.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6139 -1.6884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0442 -0.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6499 -0.2599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8251 -0.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3948 -0.9429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5700 -0.9221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1757 -0.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7453 -0.9014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6060 0.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2117 1.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3869 1.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9566 0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5684 1.2759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3509 -0.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9282 -0.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1019 -0.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -0.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0698 -0.7035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7971 -0.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 0.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2701 0.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2403 -0.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5114 -1.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0414 -1.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0185 -1.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1877 -0.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1579 0.2198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1472 1.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5662 2.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7131 1.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1152 0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0664 1.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4308 0.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1412 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4803 1.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2183 1.6779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8690 -1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2994 -0.3015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2633 -1.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0881 -1.7507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4825 -2.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0521 -3.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4464 -3.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0161 -4.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1913 -4.5869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2712 -3.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6655 -4.6493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7016 -3.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5263 -3.2416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3072 -2.4962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7376 -1.7923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5623 -1.8131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9567 -2.5377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9927 -1.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8330 -2.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2273 -3.1584 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 7 8 1 0 0 0 0 8 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 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 9 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 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 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 25 28 1 0 0 0 0 28 29 1 0 0 0 0 19 29 1 0 0 0 0 22 29 1 0 0 0 0 22 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 14 33 1 0 0 0 0 19 33 1 0 0 0 0 33 34 1 0 0 0 0 11 35 1 0 0 0 0 6 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 4 39 1 0 0 0 0 39 40 1 0 0 0 0 39 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 45 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 43 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 41 57 1 0 0 0 0 2 57 1 0 0 0 0 57 58 1 0 0 0 0 M END > NP0186676 > NP-MRD > CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CCC(C)(C)CC36)C(O)CC45C)C2(C)CO)C(O)C(OC2OC(CO)C(O)C(O)C2OC(C)=O)C1O > InChI=1S/C44H70O14/c1-22-30(49)34(58-37-35(55-23(2)47)32(51)31(50)24(19-45)56-37)33(52)36(54-22)57-29-11-12-39(5)25(40(29,6)20-46)9-13-41(7)26(39)10-14-44-27-17-38(3,4)15-16-43(27,21-53-44)28(48)18-42(41,44)8/h10,14,22,24-37,45-46,48-52H,9,11-13,15-21H2,1-8H3 > SRKDRDBFLMDBPW-UHFFFAOYSA-N > C44H70O14 > 823.03 > 822.476556934 > 13 > 128 > 89.13335979377717 > 0 > 7 > 0 > 0 > 2-[(3,5-dihydroxy-2-{[2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-10-yl]oxy}-6-methyloxan-4-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate > 2.60 > 1.8370743616666645 > -4.54 > 1 > 8 > 0 > 12.729241642584338 > 12.143730392660792 > -2.785730265168116 > 214.05999999999997 > 207.46020000000004 > 8 > 0 > 2.37e-02 g/l > 2-[(3,5-dihydroxy-2-{[2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-10-yl]oxy}-6-methyloxan-4-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate > 0 > NP0186676 > 2-[(3,5-dihydroxy-2-{[2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-10-yl]oxy}-6-methyloxan-4-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate $$$$