Mrv1533004241500112D 60 65 0 0 0 0 999 V2000 6.6513 0.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2388 1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4138 1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 2.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1763 0.7954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4138 0.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -0.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4138 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8263 -0.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 0.1869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 -0.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0638 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0638 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8888 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3013 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8888 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4763 -0.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3013 -0.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1263 -0.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3638 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2205 -0.5356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1390 -1.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2823 -0.2534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7763 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3638 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1263 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7138 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6013 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0138 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8388 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2513 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0763 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4888 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3138 -2.7770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0763 -3.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4888 -4.2059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2513 -3.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8388 -4.2059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4888 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3138 -1.3480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0763 -0.6336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8263 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4138 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5888 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7321 -3.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8136 -3.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1763 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3513 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9388 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3513 -0.6336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1138 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7013 -0.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8763 -0.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7013 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5888 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1763 -0.6336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 4 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 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 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 13 18 1 0 0 0 0 18 19 1 0 0 0 0 18 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 23 25 1 0 0 0 0 25 26 1 0 0 0 0 23 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 17 30 1 0 0 0 0 22 30 1 0 0 0 0 30 31 1 0 0 0 0 27 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 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 34 41 1 0 0 0 0 41 42 1 0 0 0 0 36 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 14 46 1 0 0 0 0 9 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 48 50 1 0 0 0 0 48 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 53 55 1 0 0 0 0 55 56 2 0 0 0 0 56 57 1 4 0 0 0 55 58 1 0 0 0 0 51 59 1 0 0 0 0 9 59 1 0 0 0 0 59 60 1 0 0 0 0 M END > NP0309334 > NP-MRD > CC=C(C)C(=O)OCC12C(O)CC3C(=CCC4C3(C)CCC3C(C)(CO)C(CCC43C)OCC3OC(C(O)C(O)C3O)C(O)=O)C1CC(C)(C)C(OC(=O)C(C)=CC)C2O > InChI=1S/C46H70O14/c1-10-23(3)40(55)58-22-46-27(19-42(5,6)38(37(46)52)60-41(56)24(4)11-2)25-12-13-29-43(7,26(25)18-31(46)48)16-14-30-44(29,8)17-15-32(45(30,9)21-47)57-20-28-33(49)34(50)35(51)36(59-28)39(53)54/h10-12,26-38,47-52H,13-22H2,1-9H3,(H,53,54) > KTJXAKDUJKKXGL-UHFFFAOYSA-N > C46H70O14 > 847.052 > 846.476556934 > 12 > 130 > 93.66726248416887 > 0 > 7 > 0 > 0 > 6-({[8,9-dihydroxy-4-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-10-[(2-methylbut-2-enoyl)oxy]-8a-{[(2-methylbut-2-enoyl)oxy]methyl}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}methyl)-3,4,5-trihydroxyoxane-2-carboxylic acid > 3.60 > 3.870135481333335 > -4.52 > 1 > 6 > -1 > 12.566468968129954 > 3.5329840791176688 > -2.7856514108975095 > 229.73999999999998 > 220.09300000000007 > 12 > 0 > 2.56e-02 g/l > 6-({[8,9-dihydroxy-4-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-10-[(2-methylbut-2-enoyl)oxy]-8a-{[(2-methylbut-2-enoyl)oxy]methyl}-2,3,4a,5,6,6b,7,8,9,10,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy}methyl)-3,4,5-trihydroxyoxane-2-carboxylic acid > 0 > NP0309334 > 6-({[8,9-dihydroxy-4-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-10-[(2-methylbut-2-enoyl)oxy]-8a-{[(2-methylbut-2-enoyl)oxy]methyl}-2,3,4a,5,6,6b,7,8,9,10,12,12a,14,14a-tetradecahydro-1h-picen-3-yl]oxy}methyl)-3,4,5-trihydroxyoxane-2-carboxylic acid $$$$